USER MOD reduce.3.24.130724 H: found=0, std=0, add=1532, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1536 hydrogens (17 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 ASN : amide:sc= -2.18 K(o=-1.8,f=-7!) USER MOD Set 1.2: A 135 ASN : amide:sc= 0.423 K(o=-1.8,f=-2.3) USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= -3.66! C(o=-12!,f=-5.1!) USER MOD Set 2.2: A 157 ASN : amide:sc= -1.42! C(o=-5.1!,f=-10!) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 160:sc= 1.62 (180deg=-0.291!) USER MOD Set 3.2: A 61 TYR OH : rot -155:sc= 1.86 USER MOD Set 4.1: A 1 MET N :NH3+ 173:sc= 1.26 (180deg=1.11) USER MOD Set 4.2: A 4 SER OG : rot 171:sc= 1.22 USER MOD Set 5.1: A 1 MET CE :methyl -112:sc= -0.464 (180deg=-0.733) USER MOD Set 5.2: A 2 SER OG : rot 180:sc= -0.0198 USER MOD Single : A 3 GLN : amide:sc= -0.0618 K(o=-0.062,f=-0.82) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.685 X(o=-0.68,f=-0.77) USER MOD Single : A 20 LYS NZ :NH3+ -154:sc= -3.27! (180deg=-4.66!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 170:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc=-0.00638 X(o=-0.0064,f=-0.42) USER MOD Single : A 28 SER OG : rot -169:sc= 1.77 USER MOD Single : A 33 ASN : amide:sc= 0.499 X(o=0.5,f=0) USER MOD Single : A 35 THR OG1 : rot 43:sc= 0.183 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 87:sc= -0.926 USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= 0.248 (180deg=-0.446) USER MOD Single : A 66 SER OG : rot -93:sc= 0.243 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.669 F(o=-2.4!,f=-0.67) USER MOD Single : A 73 HIS : no HD1:sc= -0.0324 X(o=-0.032,f=-0.0039) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.36! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot -107:sc= 0.623 USER MOD Single : A 85 GLN : amide:sc= -1.9! C(o=-1.9!,f=-5.2!) USER MOD Single : A 88 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.054) USER MOD Single : A 96 ASN : amide:sc= -2.39! C(o=-2.4!,f=-5.9!) USER MOD Single : A 105 SER OG : rot 65:sc= 1.2 USER MOD Single : A 111 CYS SG : rot 151:sc= -14.3! USER MOD Single : A 114 SER OG : rot 74:sc= 0.835 USER MOD Single : A 117 LYS NZ :NH3+ 162:sc= 0.121 (180deg=-0.221) USER MOD Single : A 119 MET CE :methyl -156:sc= -4.03! (180deg=-7.1!) USER MOD Single : A 120 GLN : amide:sc= -0.495! C(o=-0.5!,f=-3.6!) USER MOD Single : A 124 SER OG : rot -110:sc= 0.0152 USER MOD Single : A 130 MET CE :methyl -133:sc= -6.54! (180deg=-11.5!) USER MOD Single : A 132 THR OG1 : rot 83:sc= 0.345 USER MOD Single : A 133 TYR OH : rot 125:sc= 0.00635 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 GLN : amide:sc= -0.0053 X(o=-0.0053,f=-0.47) USER MOD Single : A 145 ASN : amide:sc= 0.718 K(o=0.72,f=-0.47) USER MOD Single : A 150 THR OG1 : rot -150:sc= 0 USER MOD Single : A 155 TYR OH : rot 42:sc= 1.16 USER MOD Single : A 158 ASN : amide:sc= -0.0684 K(o=-0.068,f=-0.87) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.67) USER MOD Single : A 172 HIS :FLIP no HD1:sc= -0.208 F(o=-1.4,f=-0.21) USER MOD Single : A 173 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 174 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 175 HIS : no HD1:sc= -0.58 X(o=-0.58,f=-0.32) USER MOD Single : A 176 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.026) USER MOD Single : A 177 HIS : no HD1:sc= -0.0948 X(o=-0.095,f=0) USER MOD Single : A 180 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 181 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 182 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.0095) USER MOD Single : A 183 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 184 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 185 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B1016 ASN : amide:sc= -0.285 K(o=-0.28,f=-3.7!) USER MOD Single : B1100 33B O62 : rot 135:sc= -4.71! USER MOD Single : B1100 33B O72 : rot 35:sc= 1.5 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.585 9.705 11.859 1.00 4.13 N ATOM 2 CA MET A 1 5.443 9.118 13.210 1.00 3.61 C ATOM 3 C MET A 1 4.370 8.035 13.219 1.00 2.48 C ATOM 4 O MET A 1 4.680 6.848 13.315 1.00 2.89 O ATOM 5 CB MET A 1 5.102 10.202 14.240 1.00 4.18 C ATOM 6 CG MET A 1 4.901 9.662 15.648 1.00 4.89 C ATOM 7 SD MET A 1 4.485 10.948 16.845 1.00 5.86 S ATOM 8 CE MET A 1 2.958 11.582 16.153 1.00 6.21 C ATOM 0 H1 MET A 1 6.233 10.518 11.900 1.00 4.13 H new ATOM 0 H2 MET A 1 5.968 8.990 11.208 1.00 4.13 H new ATOM 0 H3 MET A 1 4.655 10.021 11.518 1.00 4.13 H new ATOM 0 HA MET A 1 6.397 8.666 13.481 1.00 3.61 H new ATOM 0 HB2 MET A 1 5.902 10.942 14.254 1.00 4.18 H new ATOM 0 HB3 MET A 1 4.195 10.719 13.925 1.00 4.18 H new ATOM 0 HG2 MET A 1 4.107 8.915 15.635 1.00 4.89 H new ATOM 0 HG3 MET A 1 5.810 9.155 15.970 1.00 4.89 H new ATOM 0 HE1 MET A 1 3.117 12.598 15.792 1.00 6.21 H new ATOM 0 HE2 MET A 1 2.643 10.947 15.325 1.00 6.21 H new ATOM 0 HE3 MET A 1 2.185 11.587 16.921 1.00 6.21 H new ATOM 20 N SER A 2 3.112 8.441 13.110 1.00 1.64 N ATOM 21 CA SER A 2 2.005 7.500 13.175 1.00 0.95 C ATOM 22 C SER A 2 0.970 7.781 12.088 1.00 0.84 C ATOM 23 O SER A 2 0.591 6.885 11.340 1.00 1.03 O ATOM 24 CB SER A 2 1.359 7.564 14.560 1.00 1.55 C ATOM 25 OG SER A 2 1.201 8.909 14.985 1.00 1.87 O ATOM 0 H SER A 2 2.834 9.413 12.977 1.00 1.64 H new ATOM 0 HA SER A 2 2.395 6.497 13.004 1.00 0.95 H new ATOM 0 HB2 SER A 2 0.388 7.070 14.536 1.00 1.55 H new ATOM 0 HB3 SER A 2 1.974 7.022 15.278 1.00 1.55 H new ATOM 0 HG SER A 2 0.785 8.925 15.872 1.00 1.87 H new ATOM 31 N GLN A 3 0.558 9.037 11.971 1.00 0.73 N ATOM 32 CA GLN A 3 -0.509 9.418 11.047 1.00 0.73 C ATOM 33 C GLN A 3 -0.066 9.313 9.587 1.00 0.61 C ATOM 34 O GLN A 3 -0.854 9.549 8.672 1.00 0.64 O ATOM 35 CB GLN A 3 -0.989 10.832 11.355 1.00 0.83 C ATOM 36 CG GLN A 3 -1.657 10.936 12.711 1.00 1.13 C ATOM 37 CD GLN A 3 -2.985 10.211 12.774 1.00 1.76 C ATOM 38 OE1 GLN A 3 -3.696 10.095 11.774 1.00 2.42 O ATOM 39 NE2 GLN A 3 -3.337 9.722 13.952 1.00 2.22 N ATOM 0 H GLN A 3 0.947 9.814 12.506 1.00 0.73 H new ATOM 0 HA GLN A 3 -1.333 8.719 11.188 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -0.141 11.516 11.318 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -1.690 11.151 10.583 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -0.990 10.528 13.471 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -1.811 11.987 12.954 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -2.721 9.838 14.757 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -4.224 9.229 14.055 1.00 2.22 H new ATOM 48 N SER A 4 1.191 8.940 9.383 1.00 0.55 N ATOM 49 CA SER A 4 1.759 8.778 8.050 1.00 0.52 C ATOM 50 C SER A 4 1.000 7.718 7.248 1.00 0.45 C ATOM 51 O SER A 4 1.003 7.734 6.015 1.00 0.46 O ATOM 52 CB SER A 4 3.223 8.370 8.186 1.00 0.61 C ATOM 53 OG SER A 4 3.822 8.996 9.311 1.00 1.25 O ATOM 0 H SER A 4 1.847 8.741 10.138 1.00 0.55 H new ATOM 0 HA SER A 4 1.676 9.724 7.515 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.295 7.287 8.287 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.766 8.643 7.281 1.00 0.61 H new ATOM 0 HG SER A 4 4.707 8.606 9.469 1.00 1.25 H new ATOM 59 N ASN A 5 0.349 6.802 7.964 1.00 0.43 N ATOM 60 CA ASN A 5 -0.451 5.743 7.348 1.00 0.39 C ATOM 61 C ASN A 5 -1.545 6.315 6.451 1.00 0.35 C ATOM 62 O ASN A 5 -1.939 5.692 5.463 1.00 0.35 O ATOM 63 CB ASN A 5 -1.076 4.845 8.423 1.00 0.40 C ATOM 64 CG ASN A 5 -1.621 5.615 9.612 1.00 0.80 C ATOM 65 OD1 ASN A 5 -2.095 6.743 9.483 1.00 1.78 O ATOM 66 ND2 ASN A 5 -1.537 5.010 10.787 1.00 0.53 N ATOM 0 H ASN A 5 0.361 6.772 8.984 1.00 0.43 H new ATOM 0 HA ASN A 5 0.219 5.147 6.728 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.882 4.264 7.976 1.00 0.40 H new ATOM 0 HB3 ASN A 5 -0.327 4.135 8.773 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -1.872 5.480 11.628 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -1.137 4.074 10.851 1.00 0.53 H new ATOM 73 N ARG A 6 -2.021 7.501 6.803 1.00 0.35 N ATOM 74 CA ARG A 6 -3.044 8.192 6.031 1.00 0.34 C ATOM 75 C ARG A 6 -2.610 8.363 4.582 1.00 0.31 C ATOM 76 O ARG A 6 -3.346 8.024 3.657 1.00 0.30 O ATOM 77 CB ARG A 6 -3.325 9.558 6.660 1.00 0.41 C ATOM 78 CG ARG A 6 -4.271 10.425 5.848 1.00 0.59 C ATOM 79 CD ARG A 6 -5.564 9.694 5.535 1.00 0.41 C ATOM 80 NE ARG A 6 -6.340 9.395 6.738 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.380 10.123 7.144 1.00 0.69 C ATOM 82 NH1 ARG A 6 -7.640 11.291 6.568 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.119 9.713 8.169 1.00 0.93 N ATOM 0 H ARG A 6 -1.710 8.010 7.630 1.00 0.35 H new ATOM 0 HA ARG A 6 -3.954 7.592 6.043 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -3.746 9.410 7.654 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.382 10.089 6.789 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.493 11.339 6.399 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -3.786 10.723 4.918 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.166 10.300 4.859 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.336 8.765 5.013 1.00 0.41 H new ATOM 0 HE ARG A 6 -6.071 8.585 7.297 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -7.044 11.632 5.814 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -8.436 11.847 6.880 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -7.891 8.841 8.646 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -8.915 10.271 8.479 1.00 0.93 H new ATOM 97 N GLU A 7 -1.405 8.870 4.402 1.00 0.30 N ATOM 98 CA GLU A 7 -0.870 9.156 3.083 1.00 0.29 C ATOM 99 C GLU A 7 -0.780 7.908 2.237 1.00 0.25 C ATOM 100 O GLU A 7 -1.112 7.921 1.054 1.00 0.26 O ATOM 101 CB GLU A 7 0.522 9.730 3.221 1.00 0.31 C ATOM 102 CG GLU A 7 0.574 10.997 4.028 1.00 0.40 C ATOM 103 CD GLU A 7 1.986 11.398 4.352 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.795 11.566 3.422 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.275 11.606 5.541 1.00 0.53 O ATOM 0 H GLU A 7 -0.768 9.096 5.166 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.543 9.864 2.599 1.00 0.29 H new ATOM 0 HB2 GLU A 7 1.168 8.986 3.687 1.00 0.31 H new ATOM 0 HB3 GLU A 7 0.925 9.925 2.227 1.00 0.31 H new ATOM 0 HG2 GLU A 7 0.086 11.800 3.475 1.00 0.40 H new ATOM 0 HG3 GLU A 7 0.014 10.861 4.953 1.00 0.40 H new ATOM 112 N LEU A 8 -0.315 6.839 2.858 1.00 0.26 N ATOM 113 CA LEU A 8 -0.077 5.593 2.164 1.00 0.27 C ATOM 114 C LEU A 8 -1.392 5.051 1.627 1.00 0.28 C ATOM 115 O LEU A 8 -1.446 4.472 0.545 1.00 0.40 O ATOM 116 CB LEU A 8 0.578 4.598 3.118 1.00 0.34 C ATOM 117 CG LEU A 8 1.548 5.218 4.135 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.139 4.144 5.025 1.00 1.00 C ATOM 119 CD2 LEU A 8 2.651 6.028 3.447 1.00 1.16 C ATOM 0 H LEU A 8 -0.094 6.813 3.853 1.00 0.26 H new ATOM 0 HA LEU A 8 0.595 5.757 1.322 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.205 4.069 3.661 1.00 0.34 H new ATOM 0 HB3 LEU A 8 1.117 3.855 2.530 1.00 0.34 H new ATOM 0 HG LEU A 8 0.980 5.910 4.756 1.00 0.41 H new ATOM 0 HD11 LEU A 8 2.824 4.600 5.740 1.00 1.00 H new ATOM 0 HD12 LEU A 8 1.339 3.636 5.563 1.00 1.00 H new ATOM 0 HD13 LEU A 8 2.680 3.422 4.414 1.00 1.00 H new ATOM 0 HD21 LEU A 8 3.316 6.450 4.200 1.00 1.16 H new ATOM 0 HD22 LEU A 8 3.221 5.377 2.784 1.00 1.16 H new ATOM 0 HD23 LEU A 8 2.202 6.834 2.867 1.00 1.16 H new ATOM 131 N VAL A 9 -2.456 5.278 2.386 1.00 0.23 N ATOM 132 CA VAL A 9 -3.796 4.949 1.941 1.00 0.23 C ATOM 133 C VAL A 9 -4.197 5.876 0.794 1.00 0.23 C ATOM 134 O VAL A 9 -4.392 5.437 -0.339 1.00 0.24 O ATOM 135 CB VAL A 9 -4.805 5.077 3.103 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.235 4.963 2.605 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.530 4.019 4.160 1.00 0.27 C ATOM 0 H VAL A 9 -2.412 5.691 3.318 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.806 3.916 1.593 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.681 6.064 3.548 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -6.922 5.057 3.446 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.434 5.756 1.884 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.378 3.994 2.127 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.249 4.121 4.973 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.623 3.028 3.716 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.520 4.148 4.550 1.00 0.27 H new ATOM 147 N VAL A 10 -4.284 7.164 1.107 1.00 0.23 N ATOM 148 CA VAL A 10 -4.736 8.187 0.160 1.00 0.25 C ATOM 149 C VAL A 10 -4.023 8.110 -1.188 1.00 0.25 C ATOM 150 O VAL A 10 -4.675 8.012 -2.232 1.00 0.27 O ATOM 151 CB VAL A 10 -4.526 9.591 0.751 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.900 10.673 -0.242 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.335 9.735 2.017 1.00 0.32 C ATOM 0 H VAL A 10 -4.043 7.533 2.027 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.795 7.996 -0.012 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.468 9.710 0.982 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.739 11.652 0.209 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.281 10.578 -1.134 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -5.950 10.568 -0.516 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.184 10.731 2.434 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.392 9.592 1.792 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -5.014 8.986 2.741 1.00 0.32 H new ATOM 163 N ASP A 11 -2.695 8.157 -1.161 1.00 0.26 N ATOM 164 CA ASP A 11 -1.902 8.232 -2.388 1.00 0.28 C ATOM 165 C ASP A 11 -2.200 7.054 -3.305 1.00 0.31 C ATOM 166 O ASP A 11 -2.199 7.193 -4.531 1.00 0.35 O ATOM 167 CB ASP A 11 -0.404 8.281 -2.066 1.00 0.32 C ATOM 168 CG ASP A 11 0.446 8.552 -3.296 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.494 9.710 -3.756 1.00 0.59 O ATOM 170 OD2 ASP A 11 1.072 7.599 -3.809 1.00 0.49 O ATOM 0 H ASP A 11 -2.143 8.145 -0.303 1.00 0.26 H new ATOM 0 HA ASP A 11 -2.179 9.151 -2.905 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.220 9.057 -1.323 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.100 7.334 -1.620 1.00 0.32 H new ATOM 175 N PHE A 12 -2.493 5.904 -2.713 1.00 0.32 N ATOM 176 CA PHE A 12 -2.741 4.713 -3.499 1.00 0.38 C ATOM 177 C PHE A 12 -4.178 4.658 -3.986 1.00 0.34 C ATOM 178 O PHE A 12 -4.420 4.252 -5.120 1.00 0.39 O ATOM 179 CB PHE A 12 -2.414 3.447 -2.725 1.00 0.46 C ATOM 180 CG PHE A 12 -2.228 2.254 -3.621 1.00 0.76 C ATOM 181 CD1 PHE A 12 -1.126 2.174 -4.460 1.00 1.24 C ATOM 182 CD2 PHE A 12 -3.148 1.221 -3.633 1.00 0.98 C ATOM 183 CE1 PHE A 12 -0.946 1.085 -5.290 1.00 1.61 C ATOM 184 CE2 PHE A 12 -2.973 0.130 -4.462 1.00 1.38 C ATOM 185 CZ PHE A 12 -1.871 0.062 -5.291 1.00 1.61 C ATOM 0 H PHE A 12 -2.563 5.775 -1.704 1.00 0.32 H new ATOM 0 HA PHE A 12 -2.079 4.769 -4.363 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.506 3.605 -2.144 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.215 3.242 -2.015 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -0.400 2.973 -4.464 1.00 1.24 H new ATOM 0 HD2 PHE A 12 -4.012 1.268 -2.987 1.00 0.98 H new ATOM 0 HE1 PHE A 12 -0.083 1.035 -5.937 1.00 1.61 H new ATOM 0 HE2 PHE A 12 -3.698 -0.670 -4.462 1.00 1.38 H new ATOM 0 HZ PHE A 12 -1.734 -0.791 -5.939 1.00 1.61 H new ATOM 195 N LEU A 13 -5.145 5.060 -3.152 1.00 0.28 N ATOM 196 CA LEU A 13 -6.523 5.114 -3.619 1.00 0.28 C ATOM 197 C LEU A 13 -6.609 6.037 -4.824 1.00 0.30 C ATOM 198 O LEU A 13 -7.281 5.733 -5.811 1.00 0.34 O ATOM 199 CB LEU A 13 -7.485 5.579 -2.521 1.00 0.25 C ATOM 200 CG LEU A 13 -8.040 4.472 -1.624 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.115 4.186 -0.472 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.421 4.830 -1.107 1.00 0.27 C ATOM 0 H LEU A 13 -5.001 5.343 -2.183 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.825 4.106 -3.902 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -6.970 6.307 -1.894 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.322 6.097 -2.990 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.119 3.571 -2.232 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.538 3.395 0.147 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.145 3.868 -0.854 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -6.991 5.088 0.127 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.792 4.025 -0.472 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.365 5.752 -0.529 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -10.100 4.970 -1.948 1.00 0.27 H new ATOM 214 N SER A 14 -5.879 7.143 -4.748 1.00 0.29 N ATOM 215 CA SER A 14 -5.775 8.083 -5.856 1.00 0.33 C ATOM 216 C SER A 14 -5.185 7.397 -7.088 1.00 0.37 C ATOM 217 O SER A 14 -5.652 7.596 -8.210 1.00 0.42 O ATOM 218 CB SER A 14 -4.905 9.276 -5.450 1.00 0.33 C ATOM 219 OG SER A 14 -4.778 10.214 -6.509 1.00 1.05 O ATOM 0 H SER A 14 -5.345 7.412 -3.921 1.00 0.29 H new ATOM 0 HA SER A 14 -6.774 8.440 -6.105 1.00 0.33 H new ATOM 0 HB2 SER A 14 -5.341 9.766 -4.579 1.00 0.33 H new ATOM 0 HB3 SER A 14 -3.917 8.923 -5.155 1.00 0.33 H new ATOM 0 HG SER A 14 -4.218 10.964 -6.217 1.00 1.05 H new ATOM 225 N TYR A 15 -4.168 6.572 -6.862 1.00 0.37 N ATOM 226 CA TYR A 15 -3.494 5.863 -7.942 1.00 0.45 C ATOM 227 C TYR A 15 -4.432 4.851 -8.600 1.00 0.43 C ATOM 228 O TYR A 15 -4.331 4.582 -9.797 1.00 0.55 O ATOM 229 CB TYR A 15 -2.243 5.159 -7.408 1.00 0.52 C ATOM 230 CG TYR A 15 -1.464 4.410 -8.464 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.709 5.093 -9.408 1.00 0.72 C ATOM 232 CD2 TYR A 15 -1.490 3.020 -8.524 1.00 0.89 C ATOM 233 CE1 TYR A 15 -0.001 4.415 -10.378 1.00 0.89 C ATOM 234 CE2 TYR A 15 -0.785 2.336 -9.493 1.00 1.06 C ATOM 235 CZ TYR A 15 -0.043 3.039 -10.417 1.00 1.03 C ATOM 236 OH TYR A 15 0.662 2.365 -11.387 1.00 1.22 O ATOM 0 H TYR A 15 -3.791 6.378 -5.934 1.00 0.37 H new ATOM 0 HA TYR A 15 -3.197 6.591 -8.697 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.590 5.900 -6.946 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.537 4.461 -6.624 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.676 6.172 -9.382 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -2.071 2.468 -7.801 1.00 0.89 H new ATOM 0 HE1 TYR A 15 0.584 4.961 -11.104 1.00 0.89 H new ATOM 0 HE2 TYR A 15 -0.815 1.257 -9.527 1.00 1.06 H new ATOM 0 HH TYR A 15 0.529 1.400 -11.277 1.00 1.22 H new ATOM 246 N LYS A 16 -5.361 4.311 -7.823 1.00 0.33 N ATOM 247 CA LYS A 16 -6.283 3.317 -8.322 1.00 0.33 C ATOM 248 C LYS A 16 -7.304 3.972 -9.230 1.00 0.33 C ATOM 249 O LYS A 16 -7.578 3.503 -10.323 1.00 0.42 O ATOM 250 CB LYS A 16 -6.972 2.635 -7.150 1.00 0.34 C ATOM 251 CG LYS A 16 -6.009 1.909 -6.221 1.00 0.61 C ATOM 252 CD LYS A 16 -5.232 0.819 -6.944 1.00 0.57 C ATOM 253 CE LYS A 16 -6.146 0.013 -7.840 1.00 1.18 C ATOM 254 NZ LYS A 16 -5.651 -1.376 -8.058 1.00 1.41 N ATOM 0 H LYS A 16 -5.491 4.551 -6.840 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.739 2.568 -8.898 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.524 3.381 -6.578 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.703 1.922 -7.532 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -5.311 2.627 -5.790 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.566 1.469 -5.394 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -4.435 1.267 -7.538 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -4.756 0.162 -6.216 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -7.142 -0.025 -7.398 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -6.243 0.516 -8.802 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -6.437 -1.979 -8.375 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -4.906 -1.369 -8.783 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -5.265 -1.751 -7.168 1.00 1.41 H new ATOM 268 N LEU A 17 -7.875 5.051 -8.752 1.00 0.33 N ATOM 269 CA LEU A 17 -8.749 5.887 -9.550 1.00 0.32 C ATOM 270 C LEU A 17 -8.039 6.373 -10.813 1.00 0.35 C ATOM 271 O LEU A 17 -8.651 6.509 -11.874 1.00 0.36 O ATOM 272 CB LEU A 17 -9.184 7.046 -8.681 1.00 0.35 C ATOM 273 CG LEU A 17 -9.837 6.579 -7.392 1.00 0.53 C ATOM 274 CD1 LEU A 17 -9.717 7.616 -6.304 1.00 1.35 C ATOM 275 CD2 LEU A 17 -11.281 6.213 -7.645 1.00 1.15 C ATOM 0 H LEU A 17 -7.748 5.378 -7.794 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.619 5.321 -9.883 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.319 7.666 -8.445 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.883 7.672 -9.235 1.00 0.35 H new ATOM 0 HG LEU A 17 -9.311 5.690 -7.044 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -10.195 7.248 -5.396 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -8.664 7.814 -6.105 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -10.205 8.537 -6.624 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -11.740 5.879 -6.714 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -11.817 7.084 -8.022 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -11.329 5.411 -8.381 1.00 1.15 H new ATOM 287 N SER A 18 -6.737 6.591 -10.697 1.00 0.41 N ATOM 288 CA SER A 18 -5.928 7.080 -11.802 1.00 0.48 C ATOM 289 C SER A 18 -5.796 6.037 -12.920 1.00 0.51 C ATOM 290 O SER A 18 -5.591 6.395 -14.079 1.00 0.58 O ATOM 291 CB SER A 18 -4.541 7.481 -11.289 1.00 0.57 C ATOM 292 OG SER A 18 -3.780 8.134 -12.294 1.00 0.94 O ATOM 0 H SER A 18 -6.213 6.434 -9.836 1.00 0.41 H new ATOM 0 HA SER A 18 -6.430 7.950 -12.225 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.648 8.140 -10.427 1.00 0.57 H new ATOM 0 HB3 SER A 18 -4.008 6.593 -10.948 1.00 0.57 H new ATOM 0 HG SER A 18 -2.902 8.377 -11.933 1.00 0.94 H new ATOM 298 N GLN A 19 -5.942 4.750 -12.590 1.00 0.52 N ATOM 299 CA GLN A 19 -5.774 3.695 -13.584 1.00 0.57 C ATOM 300 C GLN A 19 -7.006 3.606 -14.473 1.00 0.51 C ATOM 301 O GLN A 19 -6.977 3.014 -15.551 1.00 0.59 O ATOM 302 CB GLN A 19 -5.531 2.342 -12.914 1.00 0.68 C ATOM 303 CG GLN A 19 -6.786 1.740 -12.356 1.00 0.84 C ATOM 304 CD GLN A 19 -6.609 0.345 -11.803 1.00 0.97 C ATOM 305 OE1 GLN A 19 -5.736 -0.412 -12.228 1.00 1.37 O ATOM 306 NE2 GLN A 19 -7.460 -0.008 -10.859 1.00 1.19 N ATOM 0 H GLN A 19 -6.173 4.420 -11.653 1.00 0.52 H new ATOM 0 HA GLN A 19 -4.904 3.945 -14.192 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -5.094 1.655 -13.639 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -4.803 2.464 -12.112 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -7.166 2.387 -11.565 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -7.544 1.715 -13.139 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -8.168 0.652 -10.537 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -7.410 -0.941 -10.451 1.00 1.19 H new ATOM 315 N LYS A 20 -8.080 4.206 -13.997 1.00 0.45 N ATOM 316 CA LYS A 20 -9.348 4.206 -14.713 1.00 0.49 C ATOM 317 C LYS A 20 -9.574 5.565 -15.331 1.00 0.48 C ATOM 318 O LYS A 20 -10.303 5.720 -16.310 1.00 0.53 O ATOM 319 CB LYS A 20 -10.514 3.886 -13.795 1.00 0.57 C ATOM 320 CG LYS A 20 -10.170 3.597 -12.351 1.00 0.49 C ATOM 321 CD LYS A 20 -11.027 4.443 -11.450 1.00 1.20 C ATOM 322 CE LYS A 20 -12.404 4.648 -12.058 1.00 1.75 C ATOM 323 NZ LYS A 20 -13.209 3.398 -12.159 1.00 2.20 N ATOM 0 H LYS A 20 -8.102 4.706 -13.108 1.00 0.45 H new ATOM 0 HA LYS A 20 -9.295 3.435 -15.482 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -11.209 4.725 -13.820 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.042 3.023 -14.200 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -10.328 2.541 -12.133 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -9.116 3.806 -12.169 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -11.122 3.965 -10.475 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -10.549 5.409 -11.286 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -12.952 5.374 -11.457 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -12.291 5.078 -13.053 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -13.897 3.490 -12.933 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -12.578 2.593 -12.350 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -13.714 3.237 -11.264 1.00 2.20 H new ATOM 337 N GLY A 21 -8.941 6.543 -14.726 1.00 0.45 N ATOM 338 CA GLY A 21 -8.993 7.892 -15.225 1.00 0.49 C ATOM 339 C GLY A 21 -9.927 8.778 -14.432 1.00 0.47 C ATOM 340 O GLY A 21 -10.419 9.789 -14.935 1.00 0.53 O ATOM 0 H GLY A 21 -8.381 6.425 -13.882 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -7.991 8.320 -15.205 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -9.313 7.876 -16.267 1.00 0.49 H new ATOM 344 N TYR A 22 -10.176 8.396 -13.192 1.00 0.40 N ATOM 345 CA TYR A 22 -10.929 9.240 -12.275 1.00 0.37 C ATOM 346 C TYR A 22 -9.984 9.991 -11.354 1.00 0.36 C ATOM 347 O TYR A 22 -8.805 9.645 -11.242 1.00 0.38 O ATOM 348 CB TYR A 22 -11.910 8.425 -11.436 1.00 0.34 C ATOM 349 CG TYR A 22 -13.218 8.119 -12.132 1.00 0.38 C ATOM 350 CD1 TYR A 22 -13.227 7.624 -13.429 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.438 8.322 -11.500 1.00 0.50 C ATOM 352 CE1 TYR A 22 -14.412 7.339 -14.075 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.628 8.038 -12.141 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.631 7.565 -13.397 1.00 0.62 C ATOM 355 OH TYR A 22 -16.792 7.258 -14.069 1.00 0.76 O ATOM 0 H TYR A 22 -9.869 7.508 -12.795 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.498 9.948 -12.877 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.435 7.486 -11.152 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.120 8.968 -10.514 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -12.290 7.459 -13.941 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.456 8.708 -10.491 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -14.408 6.950 -15.082 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.564 8.198 -11.627 1.00 0.62 H new ATOM 0 HH TYR A 22 -17.563 7.456 -13.497 1.00 0.76 H new ATOM 365 N SER A 23 -10.498 11.012 -10.697 1.00 0.37 N ATOM 366 CA SER A 23 -9.699 11.805 -9.794 1.00 0.39 C ATOM 367 C SER A 23 -10.002 11.443 -8.352 1.00 0.35 C ATOM 368 O SER A 23 -11.129 11.081 -8.009 1.00 0.34 O ATOM 369 CB SER A 23 -9.988 13.280 -10.008 1.00 0.45 C ATOM 370 OG SER A 23 -9.002 14.100 -9.406 1.00 0.52 O ATOM 0 H SER A 23 -11.470 11.310 -10.775 1.00 0.37 H new ATOM 0 HA SER A 23 -8.648 11.601 -9.999 1.00 0.39 H new ATOM 0 HB2 SER A 23 -10.034 13.491 -11.076 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.966 13.523 -9.593 1.00 0.45 H new ATOM 0 HG SER A 23 -9.126 15.028 -9.696 1.00 0.52 H new ATOM 376 N TRP A 24 -8.993 11.558 -7.517 1.00 0.37 N ATOM 377 CA TRP A 24 -9.151 11.363 -6.093 1.00 0.36 C ATOM 378 C TRP A 24 -9.836 12.577 -5.486 1.00 0.35 C ATOM 379 O TRP A 24 -10.883 12.462 -4.854 1.00 0.34 O ATOM 380 CB TRP A 24 -7.780 11.136 -5.448 1.00 0.45 C ATOM 381 CG TRP A 24 -7.788 11.174 -3.950 1.00 0.43 C ATOM 382 CD1 TRP A 24 -7.320 12.177 -3.147 1.00 0.96 C ATOM 383 CD2 TRP A 24 -8.292 10.164 -3.076 1.00 1.27 C ATOM 384 NE1 TRP A 24 -7.511 11.848 -1.826 1.00 0.61 N ATOM 385 CE2 TRP A 24 -8.103 10.617 -1.759 1.00 1.10 C ATOM 386 CE3 TRP A 24 -8.889 8.923 -3.280 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -8.491 9.869 -0.654 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -9.273 8.184 -2.183 1.00 3.36 C ATOM 389 CH2 TRP A 24 -9.072 8.658 -0.885 1.00 3.13 C ATOM 0 H TRP A 24 -8.042 11.789 -7.805 1.00 0.37 H new ATOM 0 HA TRP A 24 -9.770 10.485 -5.909 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.394 10.170 -5.773 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.089 11.895 -5.815 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -6.867 13.092 -3.499 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -7.253 12.427 -1.027 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -9.048 8.547 -4.280 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -8.338 10.234 0.351 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -9.738 7.220 -2.329 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -9.383 8.052 -0.047 1.00 3.13 H new ATOM 400 N SER A 25 -9.262 13.744 -5.734 1.00 0.39 N ATOM 401 CA SER A 25 -9.718 14.976 -5.114 1.00 0.44 C ATOM 402 C SER A 25 -11.157 15.314 -5.505 1.00 0.43 C ATOM 403 O SER A 25 -11.899 15.867 -4.697 1.00 0.49 O ATOM 404 CB SER A 25 -8.781 16.120 -5.491 1.00 0.53 C ATOM 405 OG SER A 25 -7.432 15.764 -5.232 1.00 1.37 O ATOM 0 H SER A 25 -8.471 13.863 -6.367 1.00 0.39 H new ATOM 0 HA SER A 25 -9.703 14.833 -4.033 1.00 0.44 H new ATOM 0 HB2 SER A 25 -8.902 16.365 -6.546 1.00 0.53 H new ATOM 0 HB3 SER A 25 -9.043 17.014 -4.925 1.00 0.53 H new ATOM 0 HG SER A 25 -6.844 16.507 -5.481 1.00 1.37 H new ATOM 411 N GLN A 26 -11.562 14.962 -6.727 1.00 0.40 N ATOM 412 CA GLN A 26 -12.914 15.274 -7.193 1.00 0.42 C ATOM 413 C GLN A 26 -13.983 14.626 -6.316 1.00 0.38 C ATOM 414 O GLN A 26 -15.091 15.146 -6.187 1.00 0.41 O ATOM 415 CB GLN A 26 -13.109 14.832 -8.640 1.00 0.47 C ATOM 416 CG GLN A 26 -12.289 15.635 -9.626 1.00 0.59 C ATOM 417 CD GLN A 26 -12.609 15.301 -11.071 1.00 0.73 C ATOM 418 OE1 GLN A 26 -13.028 14.190 -11.389 1.00 1.11 O ATOM 419 NE2 GLN A 26 -12.409 16.261 -11.958 1.00 1.10 N ATOM 0 H GLN A 26 -10.981 14.467 -7.404 1.00 0.40 H new ATOM 0 HA GLN A 26 -13.026 16.356 -7.128 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.844 13.779 -8.730 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.164 14.918 -8.900 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.465 16.697 -9.457 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.230 15.454 -9.443 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -12.060 17.170 -11.655 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -12.604 16.092 -12.945 1.00 1.10 H new ATOM 428 N PHE A 27 -13.648 13.496 -5.714 1.00 0.35 N ATOM 429 CA PHE A 27 -14.613 12.731 -4.940 1.00 0.38 C ATOM 430 C PHE A 27 -14.223 12.631 -3.468 1.00 0.43 C ATOM 431 O PHE A 27 -14.955 12.052 -2.665 1.00 0.67 O ATOM 432 CB PHE A 27 -14.743 11.332 -5.540 1.00 0.43 C ATOM 433 CG PHE A 27 -15.288 11.336 -6.940 1.00 0.67 C ATOM 434 CD1 PHE A 27 -16.591 11.737 -7.188 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.500 10.934 -8.007 1.00 0.94 C ATOM 436 CE1 PHE A 27 -17.097 11.738 -8.474 1.00 1.16 C ATOM 437 CE2 PHE A 27 -15.001 10.933 -9.295 1.00 1.20 C ATOM 438 CZ PHE A 27 -16.293 11.355 -9.533 1.00 1.28 C ATOM 0 H PHE A 27 -12.714 13.088 -5.746 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.569 13.253 -4.986 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.765 10.851 -5.539 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.394 10.731 -4.905 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -17.218 12.052 -6.367 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.483 10.618 -7.830 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -18.119 12.037 -8.652 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -14.381 10.602 -10.115 1.00 1.20 H new ATOM 0 HZ PHE A 27 -16.675 11.386 -10.543 1.00 1.28 H new ATOM 448 N SER A 28 -13.077 13.187 -3.111 1.00 0.39 N ATOM 449 CA SER A 28 -12.580 13.064 -1.750 1.00 0.42 C ATOM 450 C SER A 28 -12.802 14.306 -0.922 1.00 0.58 C ATOM 451 O SER A 28 -12.923 15.419 -1.431 1.00 1.01 O ATOM 452 CB SER A 28 -11.110 12.685 -1.749 1.00 0.62 C ATOM 453 OG SER A 28 -10.928 11.451 -2.411 1.00 1.81 O ATOM 0 H SER A 28 -12.478 13.723 -3.738 1.00 0.39 H new ATOM 0 HA SER A 28 -13.160 12.268 -1.282 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.526 13.461 -2.243 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.745 12.614 -0.724 1.00 0.62 H new ATOM 0 HG SER A 28 -10.016 11.127 -2.255 1.00 1.81 H new ATOM 459 N ASP A 29 -12.846 14.069 0.370 1.00 0.63 N ATOM 460 CA ASP A 29 -13.080 15.088 1.365 1.00 0.84 C ATOM 461 C ASP A 29 -12.025 14.972 2.457 1.00 0.88 C ATOM 462 O ASP A 29 -11.997 15.753 3.412 1.00 1.03 O ATOM 463 CB ASP A 29 -14.454 14.858 1.977 1.00 1.04 C ATOM 464 CG ASP A 29 -15.608 15.252 1.073 1.00 1.69 C ATOM 465 OD1 ASP A 29 -16.081 14.402 0.294 1.00 2.31 O ATOM 466 OD2 ASP A 29 -16.028 16.427 1.112 1.00 1.85 O ATOM 0 H ASP A 29 -12.717 13.138 0.766 1.00 0.63 H new ATOM 0 HA ASP A 29 -13.029 16.077 0.909 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.553 13.804 2.236 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -14.525 15.423 2.907 1.00 1.04 H new ATOM 471 N VAL A 30 -11.148 13.991 2.272 1.00 0.80 N ATOM 472 CA VAL A 30 -10.226 13.526 3.304 1.00 0.82 C ATOM 473 C VAL A 30 -9.278 14.620 3.805 1.00 0.82 C ATOM 474 O VAL A 30 -9.492 15.180 4.880 1.00 0.92 O ATOM 475 CB VAL A 30 -9.411 12.327 2.761 1.00 0.81 C ATOM 476 CG1 VAL A 30 -10.268 11.078 2.729 1.00 0.89 C ATOM 477 CG2 VAL A 30 -8.882 12.612 1.360 1.00 0.76 C ATOM 0 H VAL A 30 -11.056 13.489 1.389 1.00 0.80 H new ATOM 0 HA VAL A 30 -10.828 13.223 4.161 1.00 0.82 H new ATOM 0 HB VAL A 30 -8.565 12.171 3.430 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -9.681 10.244 2.345 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -10.611 10.846 3.737 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -11.129 11.244 2.082 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -8.314 11.753 1.004 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -9.718 12.798 0.686 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -8.235 13.489 1.387 1.00 0.76 H new ATOM 487 N GLU A 31 -8.270 14.954 3.012 1.00 0.78 N ATOM 488 CA GLU A 31 -7.314 15.981 3.387 1.00 0.83 C ATOM 489 C GLU A 31 -7.792 17.311 2.842 1.00 0.88 C ATOM 490 O GLU A 31 -7.174 18.356 3.054 1.00 0.98 O ATOM 491 CB GLU A 31 -5.920 15.654 2.845 1.00 0.93 C ATOM 492 CG GLU A 31 -5.428 14.254 3.200 1.00 1.05 C ATOM 493 CD GLU A 31 -5.440 13.978 4.692 1.00 2.05 C ATOM 494 OE1 GLU A 31 -4.660 14.626 5.428 1.00 2.46 O ATOM 495 OE2 GLU A 31 -6.213 13.098 5.124 1.00 2.74 O ATOM 0 H GLU A 31 -8.094 14.526 2.103 1.00 0.78 H new ATOM 0 HA GLU A 31 -7.243 16.029 4.474 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -5.929 15.760 1.760 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -5.211 16.386 3.231 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -6.053 13.517 2.695 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -4.414 14.125 2.821 1.00 1.05 H new ATOM 502 N GLU A 32 -8.900 17.247 2.117 1.00 0.87 N ATOM 503 CA GLU A 32 -9.539 18.423 1.564 1.00 0.98 C ATOM 504 C GLU A 32 -10.037 19.336 2.673 1.00 1.09 C ATOM 505 O GLU A 32 -9.899 20.556 2.608 1.00 1.24 O ATOM 506 CB GLU A 32 -10.713 18.011 0.674 1.00 0.98 C ATOM 507 CG GLU A 32 -11.560 19.192 0.229 1.00 1.12 C ATOM 508 CD GLU A 32 -12.446 18.875 -0.954 1.00 1.20 C ATOM 509 OE1 GLU A 32 -11.912 18.498 -2.014 1.00 1.45 O ATOM 510 OE2 GLU A 32 -13.682 19.024 -0.837 1.00 1.17 O ATOM 0 H GLU A 32 -9.379 16.374 1.898 1.00 0.87 H new ATOM 0 HA GLU A 32 -8.804 18.964 0.968 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -10.331 17.492 -0.205 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -11.341 17.303 1.214 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -12.181 19.520 1.062 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -10.905 20.025 -0.028 1.00 1.12 H new ATOM 517 N ASN A 33 -10.614 18.730 3.691 1.00 1.09 N ATOM 518 CA ASN A 33 -11.217 19.480 4.772 1.00 1.27 C ATOM 519 C ASN A 33 -10.298 19.513 5.982 1.00 1.32 C ATOM 520 O ASN A 33 -9.966 20.585 6.488 1.00 1.68 O ATOM 521 CB ASN A 33 -12.569 18.870 5.127 1.00 1.36 C ATOM 522 CG ASN A 33 -13.613 19.131 4.060 1.00 1.48 C ATOM 523 OD1 ASN A 33 -14.313 20.142 4.094 1.00 1.87 O ATOM 524 ND2 ASN A 33 -13.729 18.218 3.109 1.00 1.35 N ATOM 0 H ASN A 33 -10.678 17.717 3.792 1.00 1.09 H new ATOM 0 HA ASN A 33 -11.372 20.509 4.448 1.00 1.27 H new ATOM 0 HB2 ASN A 33 -12.455 17.795 5.266 1.00 1.36 H new ATOM 0 HB3 ASN A 33 -12.912 19.280 6.077 1.00 1.36 H new ATOM 0 HD21 ASN A 33 -14.419 18.339 2.367 1.00 1.35 H new ATOM 0 HD22 ASN A 33 -13.129 17.394 3.118 1.00 1.35 H new ATOM 531 N ARG A 34 -9.873 18.345 6.439 1.00 1.22 N ATOM 532 CA ARG A 34 -8.926 18.270 7.538 1.00 1.29 C ATOM 533 C ARG A 34 -7.600 17.704 7.061 1.00 1.17 C ATOM 534 O ARG A 34 -7.558 16.713 6.340 1.00 1.24 O ATOM 535 CB ARG A 34 -9.480 17.433 8.691 1.00 1.50 C ATOM 536 CG ARG A 34 -9.937 16.037 8.296 1.00 1.52 C ATOM 537 CD ARG A 34 -10.322 15.213 9.515 1.00 1.91 C ATOM 538 NE ARG A 34 -10.919 13.927 9.146 1.00 2.18 N ATOM 539 CZ ARG A 34 -10.688 12.777 9.785 1.00 2.65 C ATOM 540 NH1 ARG A 34 -9.890 12.738 10.848 1.00 2.89 N ATOM 541 NH2 ARG A 34 -11.267 11.660 9.361 1.00 3.39 N ATOM 0 H ARG A 34 -10.167 17.442 6.068 1.00 1.22 H new ATOM 0 HA ARG A 34 -8.761 19.282 7.907 1.00 1.29 H new ATOM 0 HB2 ARG A 34 -8.713 17.346 9.461 1.00 1.50 H new ATOM 0 HB3 ARG A 34 -10.321 17.964 9.137 1.00 1.50 H new ATOM 0 HG2 ARG A 34 -10.789 16.109 7.620 1.00 1.52 H new ATOM 0 HG3 ARG A 34 -9.139 15.532 7.751 1.00 1.52 H new ATOM 0 HD2 ARG A 34 -9.438 15.039 10.128 1.00 1.91 H new ATOM 0 HD3 ARG A 34 -11.027 15.777 10.125 1.00 1.91 H new ATOM 0 HE ARG A 34 -11.554 13.909 8.348 1.00 2.18 H new ATOM 0 HH11 ARG A 34 -9.446 13.593 11.184 1.00 2.89 H new ATOM 0 HH12 ARG A 34 -9.722 11.853 11.327 1.00 2.89 H new ATOM 0 HH21 ARG A 34 -11.885 11.682 8.550 1.00 3.39 H new ATOM 0 HH22 ARG A 34 -11.093 10.780 9.846 1.00 3.39 H new ATOM 555 N THR A 35 -6.526 18.354 7.456 1.00 1.31 N ATOM 556 CA THR A 35 -5.193 17.911 7.087 1.00 1.39 C ATOM 557 C THR A 35 -4.590 17.073 8.197 1.00 1.34 C ATOM 558 O THR A 35 -4.220 17.585 9.256 1.00 1.55 O ATOM 559 CB THR A 35 -4.265 19.092 6.771 1.00 1.82 C ATOM 560 OG1 THR A 35 -4.370 20.098 7.792 1.00 2.05 O ATOM 561 CG2 THR A 35 -4.595 19.697 5.416 1.00 2.25 C ATOM 0 H THR A 35 -6.547 19.194 8.034 1.00 1.31 H new ATOM 0 HA THR A 35 -5.291 17.308 6.184 1.00 1.39 H new ATOM 0 HB THR A 35 -3.242 18.716 6.742 1.00 1.82 H new ATOM 0 HG1 THR A 35 -4.380 19.670 8.673 1.00 2.05 H new ATOM 0 HG21 THR A 35 -3.923 20.532 5.217 1.00 2.25 H new ATOM 0 HG22 THR A 35 -4.474 18.941 4.641 1.00 2.25 H new ATOM 0 HG23 THR A 35 -5.625 20.053 5.418 1.00 2.25 H new ATOM 569 N GLU A 36 -4.512 15.784 7.951 1.00 1.44 N ATOM 570 CA GLU A 36 -4.098 14.833 8.963 1.00 1.68 C ATOM 571 C GLU A 36 -2.613 14.529 8.864 1.00 1.43 C ATOM 572 O GLU A 36 -1.837 14.861 9.760 1.00 1.46 O ATOM 573 CB GLU A 36 -4.907 13.550 8.817 1.00 2.17 C ATOM 574 CG GLU A 36 -6.382 13.741 9.119 1.00 2.49 C ATOM 575 CD GLU A 36 -6.620 14.251 10.525 1.00 2.96 C ATOM 576 OE1 GLU A 36 -6.704 13.423 11.457 1.00 3.30 O ATOM 577 OE2 GLU A 36 -6.716 15.481 10.715 1.00 3.34 O ATOM 0 H GLU A 36 -4.733 15.365 7.048 1.00 1.44 H new ATOM 0 HA GLU A 36 -4.282 15.273 9.943 1.00 1.68 H new ATOM 0 HB2 GLU A 36 -4.796 13.171 7.801 1.00 2.17 H new ATOM 0 HB3 GLU A 36 -4.500 12.792 9.486 1.00 2.17 H new ATOM 0 HG2 GLU A 36 -6.809 14.443 8.403 1.00 2.49 H new ATOM 0 HG3 GLU A 36 -6.904 12.793 8.986 1.00 2.49 H new ATOM 584 N ALA A 37 -2.232 13.894 7.775 1.00 1.50 N ATOM 585 CA ALA A 37 -0.849 13.496 7.564 1.00 1.39 C ATOM 586 C ALA A 37 -0.077 14.560 6.785 1.00 1.27 C ATOM 587 O ALA A 37 -0.674 15.344 6.043 1.00 1.58 O ATOM 588 CB ALA A 37 -0.807 12.165 6.836 1.00 1.92 C ATOM 0 H ALA A 37 -2.863 13.639 7.015 1.00 1.50 H new ATOM 0 HA ALA A 37 -0.368 13.389 8.536 1.00 1.39 H new ATOM 0 HB1 ALA A 37 0.230 11.869 6.679 1.00 1.92 H new ATOM 0 HB2 ALA A 37 -1.314 11.407 7.433 1.00 1.92 H new ATOM 0 HB3 ALA A 37 -1.307 12.262 5.872 1.00 1.92 H new ATOM 594 N PRO A 38 1.259 14.608 6.960 1.00 1.10 N ATOM 595 CA PRO A 38 2.135 15.542 6.238 1.00 1.43 C ATOM 596 C PRO A 38 2.131 15.297 4.728 1.00 1.79 C ATOM 597 O PRO A 38 1.405 14.439 4.223 1.00 1.87 O ATOM 598 CB PRO A 38 3.534 15.273 6.838 1.00 1.34 C ATOM 599 CG PRO A 38 3.269 14.569 8.119 1.00 1.26 C ATOM 600 CD PRO A 38 2.023 13.769 7.895 1.00 1.01 C ATOM 0 HA PRO A 38 1.808 16.576 6.353 1.00 1.43 H new ATOM 0 HB2 PRO A 38 4.140 14.662 6.169 1.00 1.34 H new ATOM 0 HB3 PRO A 38 4.079 16.202 7.003 1.00 1.34 H new ATOM 0 HG2 PRO A 38 4.104 13.924 8.391 1.00 1.26 H new ATOM 0 HG3 PRO A 38 3.136 15.279 8.935 1.00 1.26 H new ATOM 0 HD2 PRO A 38 2.243 12.789 7.472 1.00 1.01 H new ATOM 0 HD3 PRO A 38 1.479 13.600 8.824 1.00 1.01 H new ATOM 608 N GLU A 39 2.944 16.054 4.006 1.00 2.28 N ATOM 609 CA GLU A 39 3.046 15.902 2.560 1.00 2.76 C ATOM 610 C GLU A 39 3.966 14.739 2.209 1.00 2.66 C ATOM 611 O GLU A 39 4.323 14.533 1.048 1.00 3.08 O ATOM 612 CB GLU A 39 3.569 17.191 1.927 1.00 3.38 C ATOM 613 CG GLU A 39 4.948 17.595 2.417 1.00 3.52 C ATOM 614 CD GLU A 39 5.422 18.886 1.794 1.00 4.22 C ATOM 615 OE1 GLU A 39 5.906 18.851 0.645 1.00 4.64 O ATOM 616 OE2 GLU A 39 5.320 19.941 2.452 1.00 4.44 O ATOM 0 H GLU A 39 3.544 16.781 4.397 1.00 2.28 H new ATOM 0 HA GLU A 39 2.052 15.693 2.165 1.00 2.76 H new ATOM 0 HB2 GLU A 39 3.599 17.067 0.844 1.00 3.38 H new ATOM 0 HB3 GLU A 39 2.868 17.999 2.136 1.00 3.38 H new ATOM 0 HG2 GLU A 39 4.929 17.703 3.501 1.00 3.52 H new ATOM 0 HG3 GLU A 39 5.659 16.801 2.189 1.00 3.52 H new ATOM 623 N GLY A 40 4.328 13.977 3.225 1.00 2.15 N ATOM 624 CA GLY A 40 5.259 12.890 3.059 1.00 2.04 C ATOM 625 C GLY A 40 6.356 12.958 4.087 1.00 1.57 C ATOM 626 O GLY A 40 7.490 13.309 3.762 1.00 1.75 O ATOM 0 H GLY A 40 3.985 14.097 4.178 1.00 2.15 H new ATOM 0 HA2 GLY A 40 4.733 11.939 3.146 1.00 2.04 H new ATOM 0 HA3 GLY A 40 5.690 12.925 2.059 1.00 2.04 H new ATOM 630 N THR A 41 6.028 12.635 5.335 1.00 1.12 N ATOM 631 CA THR A 41 7.001 12.759 6.405 1.00 0.86 C ATOM 632 C THR A 41 8.012 11.593 6.350 1.00 0.75 C ATOM 633 O THR A 41 9.138 11.761 5.876 1.00 0.85 O ATOM 634 CB THR A 41 6.297 12.823 7.785 1.00 0.80 C ATOM 635 OG1 THR A 41 7.251 12.700 8.845 1.00 0.95 O ATOM 636 CG2 THR A 41 5.222 11.751 7.924 1.00 0.91 C ATOM 0 H THR A 41 5.112 12.292 5.623 1.00 1.12 H new ATOM 0 HA THR A 41 7.549 13.691 6.268 1.00 0.86 H new ATOM 0 HB THR A 41 5.810 13.796 7.853 1.00 0.80 H new ATOM 0 HG1 THR A 41 6.789 12.744 9.708 1.00 0.95 H new ATOM 0 HG21 THR A 41 4.753 11.831 8.905 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.468 11.889 7.149 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.675 10.765 7.817 1.00 0.91 H new ATOM 644 N GLU A 42 7.603 10.416 6.814 1.00 0.69 N ATOM 645 CA GLU A 42 8.323 9.174 6.552 1.00 0.66 C ATOM 646 C GLU A 42 7.704 8.530 5.333 1.00 0.54 C ATOM 647 O GLU A 42 8.348 7.852 4.533 1.00 0.56 O ATOM 648 CB GLU A 42 8.205 8.225 7.750 1.00 0.74 C ATOM 649 CG GLU A 42 6.797 7.677 7.978 1.00 0.65 C ATOM 650 CD GLU A 42 6.628 7.076 9.358 1.00 1.20 C ATOM 651 OE1 GLU A 42 7.203 5.998 9.610 1.00 2.02 O ATOM 652 OE2 GLU A 42 5.918 7.668 10.196 1.00 1.17 O ATOM 0 H GLU A 42 6.764 10.296 7.382 1.00 0.69 H new ATOM 0 HA GLU A 42 9.380 9.383 6.385 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.889 7.389 7.606 1.00 0.74 H new ATOM 0 HB3 GLU A 42 8.528 8.750 8.649 1.00 0.74 H new ATOM 0 HG2 GLU A 42 6.072 8.479 7.843 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.579 6.919 7.225 1.00 0.65 H new ATOM 659 N SER A 43 6.425 8.808 5.222 1.00 0.48 N ATOM 660 CA SER A 43 5.528 8.200 4.274 1.00 0.43 C ATOM 661 C SER A 43 5.920 8.442 2.836 1.00 0.43 C ATOM 662 O SER A 43 5.559 7.670 1.967 1.00 0.49 O ATOM 663 CB SER A 43 4.168 8.778 4.542 1.00 0.50 C ATOM 664 OG SER A 43 4.297 9.892 5.415 1.00 1.25 O ATOM 0 H SER A 43 5.964 9.495 5.818 1.00 0.48 H new ATOM 0 HA SER A 43 5.554 7.118 4.403 1.00 0.43 H new ATOM 0 HB2 SER A 43 3.700 9.086 3.607 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.521 8.023 4.989 1.00 0.50 H new ATOM 0 HG SER A 43 4.471 10.701 4.890 1.00 1.25 H new ATOM 670 N GLU A 44 6.630 9.521 2.590 1.00 0.46 N ATOM 671 CA GLU A 44 7.079 9.847 1.241 1.00 0.52 C ATOM 672 C GLU A 44 7.825 8.665 0.621 1.00 0.51 C ATOM 673 O GLU A 44 7.494 8.218 -0.473 1.00 0.58 O ATOM 674 CB GLU A 44 7.968 11.086 1.272 1.00 0.61 C ATOM 675 CG GLU A 44 8.566 11.458 -0.071 1.00 0.72 C ATOM 676 CD GLU A 44 9.603 12.553 0.051 1.00 1.17 C ATOM 677 OE1 GLU A 44 9.222 13.739 0.094 1.00 1.29 O ATOM 678 OE2 GLU A 44 10.807 12.229 0.123 1.00 1.91 O ATOM 0 H GLU A 44 6.913 10.193 3.303 1.00 0.46 H new ATOM 0 HA GLU A 44 6.206 10.058 0.623 1.00 0.52 H new ATOM 0 HB2 GLU A 44 7.384 11.929 1.643 1.00 0.61 H new ATOM 0 HB3 GLU A 44 8.777 10.921 1.984 1.00 0.61 H new ATOM 0 HG2 GLU A 44 9.022 10.576 -0.521 1.00 0.72 H new ATOM 0 HG3 GLU A 44 7.772 11.784 -0.743 1.00 0.72 H new ATOM 685 N ALA A 45 8.805 8.138 1.345 1.00 0.48 N ATOM 686 CA ALA A 45 9.561 6.986 0.873 1.00 0.48 C ATOM 687 C ALA A 45 8.725 5.724 0.995 1.00 0.41 C ATOM 688 O ALA A 45 8.796 4.831 0.151 1.00 0.41 O ATOM 689 CB ALA A 45 10.859 6.847 1.649 1.00 0.52 C ATOM 0 H ALA A 45 9.094 8.489 2.258 1.00 0.48 H new ATOM 0 HA ALA A 45 9.808 7.137 -0.178 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.411 5.981 1.283 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.462 7.745 1.514 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.637 6.715 2.708 1.00 0.52 H new ATOM 695 N VAL A 46 7.925 5.675 2.049 1.00 0.37 N ATOM 696 CA VAL A 46 7.040 4.554 2.315 1.00 0.34 C ATOM 697 C VAL A 46 6.066 4.335 1.172 1.00 0.34 C ATOM 698 O VAL A 46 6.047 3.274 0.562 1.00 0.39 O ATOM 699 CB VAL A 46 6.236 4.814 3.581 1.00 0.49 C ATOM 700 CG1 VAL A 46 5.279 3.686 3.855 1.00 1.41 C ATOM 701 CG2 VAL A 46 7.140 5.057 4.769 1.00 1.13 C ATOM 0 H VAL A 46 7.872 6.417 2.747 1.00 0.37 H new ATOM 0 HA VAL A 46 7.663 3.667 2.431 1.00 0.34 H new ATOM 0 HB VAL A 46 5.652 5.720 3.419 1.00 0.49 H new ATOM 0 HG11 VAL A 46 4.718 3.898 4.765 1.00 1.41 H new ATOM 0 HG12 VAL A 46 4.588 3.584 3.018 1.00 1.41 H new ATOM 0 HG13 VAL A 46 5.837 2.758 3.981 1.00 1.41 H new ATOM 0 HG21 VAL A 46 6.534 5.239 5.656 1.00 1.13 H new ATOM 0 HG22 VAL A 46 7.769 4.182 4.933 1.00 1.13 H new ATOM 0 HG23 VAL A 46 7.770 5.925 4.575 1.00 1.13 H new ATOM 711 N LYS A 47 5.256 5.347 0.901 1.00 0.34 N ATOM 712 CA LYS A 47 4.252 5.276 -0.146 1.00 0.36 C ATOM 713 C LYS A 47 4.933 5.006 -1.475 1.00 0.39 C ATOM 714 O LYS A 47 4.415 4.278 -2.319 1.00 0.43 O ATOM 715 CB LYS A 47 3.473 6.588 -0.227 1.00 0.38 C ATOM 716 CG LYS A 47 4.298 7.716 -0.805 1.00 0.49 C ATOM 717 CD LYS A 47 3.633 9.064 -0.659 1.00 0.47 C ATOM 718 CE LYS A 47 3.144 9.293 0.753 1.00 0.47 C ATOM 719 NZ LYS A 47 2.816 10.722 0.978 1.00 0.67 N ATOM 0 H LYS A 47 5.277 6.237 1.399 1.00 0.34 H new ATOM 0 HA LYS A 47 3.555 4.470 0.084 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.584 6.442 -0.840 1.00 0.38 H new ATOM 0 HB3 LYS A 47 3.131 6.866 0.770 1.00 0.38 H new ATOM 0 HG2 LYS A 47 5.269 7.740 -0.310 1.00 0.49 H new ATOM 0 HG3 LYS A 47 4.483 7.520 -1.861 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.337 9.849 -0.933 1.00 0.47 H new ATOM 0 HD3 LYS A 47 2.794 9.133 -1.351 1.00 0.47 H new ATOM 0 HE2 LYS A 47 2.262 8.680 0.940 1.00 0.47 H new ATOM 0 HE3 LYS A 47 3.909 8.976 1.462 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 2.830 10.925 1.998 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 3.518 11.319 0.496 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 1.870 10.925 0.598 1.00 0.67 H new ATOM 733 N GLN A 48 6.123 5.583 -1.635 1.00 0.40 N ATOM 734 CA GLN A 48 6.883 5.421 -2.852 1.00 0.46 C ATOM 735 C GLN A 48 7.335 3.982 -3.013 1.00 0.45 C ATOM 736 O GLN A 48 7.496 3.503 -4.126 1.00 0.50 O ATOM 737 CB GLN A 48 8.092 6.353 -2.894 1.00 0.52 C ATOM 738 CG GLN A 48 7.836 7.668 -3.610 1.00 0.58 C ATOM 739 CD GLN A 48 7.695 7.531 -5.122 1.00 0.67 C ATOM 740 OE1 GLN A 48 7.246 6.377 -5.596 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 8.007 8.461 -5.865 1.00 0.63 N flip ATOM 0 H GLN A 48 6.574 6.166 -0.930 1.00 0.40 H new ATOM 0 HA GLN A 48 6.225 5.685 -3.680 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.411 6.563 -1.873 1.00 0.52 H new ATOM 0 HB3 GLN A 48 8.917 5.838 -3.386 1.00 0.52 H new ATOM 0 HG2 GLN A 48 6.927 8.118 -3.209 1.00 0.58 H new ATOM 0 HG3 GLN A 48 8.654 8.354 -3.392 1.00 0.58 H new ATOM 0 HE21 GLN A 48 8.349 9.337 -5.470 1.00 0.63 H new ATOM 0 HE22 GLN A 48 7.923 8.356 -6.876 1.00 0.63 H new ATOM 750 N ALA A 49 7.552 3.311 -1.895 1.00 0.42 N ATOM 751 CA ALA A 49 7.909 1.903 -1.896 1.00 0.41 C ATOM 752 C ALA A 49 6.663 1.039 -2.000 1.00 0.39 C ATOM 753 O ALA A 49 6.650 0.018 -2.686 1.00 0.42 O ATOM 754 CB ALA A 49 8.671 1.556 -0.633 1.00 0.42 C ATOM 0 H ALA A 49 7.486 3.725 -0.965 1.00 0.42 H new ATOM 0 HA ALA A 49 8.544 1.709 -2.760 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.933 0.498 -0.645 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.580 2.155 -0.581 1.00 0.42 H new ATOM 0 HB3 ALA A 49 8.048 1.765 0.237 1.00 0.42 H new ATOM 760 N LEU A 50 5.613 1.473 -1.320 1.00 0.38 N ATOM 761 CA LEU A 50 4.371 0.722 -1.253 1.00 0.40 C ATOM 762 C LEU A 50 3.696 0.635 -2.613 1.00 0.41 C ATOM 763 O LEU A 50 2.993 -0.325 -2.887 1.00 0.43 O ATOM 764 CB LEU A 50 3.412 1.345 -0.233 1.00 0.45 C ATOM 765 CG LEU A 50 3.013 0.419 0.919 1.00 0.69 C ATOM 766 CD1 LEU A 50 4.189 0.176 1.841 1.00 1.33 C ATOM 767 CD2 LEU A 50 1.837 0.981 1.697 1.00 1.20 C ATOM 0 H LEU A 50 5.598 2.351 -0.802 1.00 0.38 H new ATOM 0 HA LEU A 50 4.622 -0.289 -0.932 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.876 2.240 0.182 1.00 0.45 H new ATOM 0 HB3 LEU A 50 2.509 1.666 -0.753 1.00 0.45 H new ATOM 0 HG LEU A 50 2.706 -0.534 0.487 1.00 0.69 H new ATOM 0 HD11 LEU A 50 3.884 -0.484 2.653 1.00 1.33 H new ATOM 0 HD12 LEU A 50 5.001 -0.288 1.281 1.00 1.33 H new ATOM 0 HD13 LEU A 50 4.530 1.125 2.254 1.00 1.33 H new ATOM 0 HD21 LEU A 50 1.578 0.300 2.508 1.00 1.20 H new ATOM 0 HD22 LEU A 50 2.106 1.953 2.111 1.00 1.20 H new ATOM 0 HD23 LEU A 50 0.981 1.094 1.031 1.00 1.20 H new ATOM 779 N ARG A 51 3.929 1.611 -3.481 1.00 0.44 N ATOM 780 CA ARG A 51 3.283 1.608 -4.784 1.00 0.50 C ATOM 781 C ARG A 51 4.041 0.691 -5.722 1.00 0.52 C ATOM 782 O ARG A 51 3.500 0.190 -6.699 1.00 0.59 O ATOM 783 CB ARG A 51 3.225 3.012 -5.362 1.00 0.53 C ATOM 784 CG ARG A 51 4.553 3.730 -5.289 1.00 0.52 C ATOM 785 CD ARG A 51 4.560 4.955 -6.163 1.00 0.73 C ATOM 786 NE ARG A 51 3.438 5.848 -5.878 1.00 1.21 N ATOM 787 CZ ARG A 51 2.650 6.389 -6.805 1.00 1.63 C ATOM 788 NH1 ARG A 51 2.814 6.080 -8.084 1.00 1.96 N ATOM 789 NH2 ARG A 51 1.680 7.223 -6.448 1.00 2.17 N ATOM 0 H ARG A 51 4.550 2.402 -3.310 1.00 0.44 H new ATOM 0 HA ARG A 51 2.261 1.246 -4.667 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.902 2.959 -6.402 1.00 0.53 H new ATOM 0 HB3 ARG A 51 2.474 3.591 -4.824 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.758 4.015 -4.257 1.00 0.52 H new ATOM 0 HG3 ARG A 51 5.351 3.055 -5.598 1.00 0.52 H new ATOM 0 HD2 ARG A 51 5.496 5.495 -6.020 1.00 0.73 H new ATOM 0 HD3 ARG A 51 4.523 4.652 -7.209 1.00 0.73 H new ATOM 0 HE ARG A 51 3.246 6.072 -4.902 1.00 1.21 H new ATOM 0 HH11 ARG A 51 3.546 5.426 -8.361 1.00 1.96 H new ATOM 0 HH12 ARG A 51 2.208 6.497 -8.791 1.00 1.96 H new ATOM 0 HH21 ARG A 51 1.539 7.449 -5.464 1.00 2.17 H new ATOM 0 HH22 ARG A 51 1.077 7.637 -7.158 1.00 2.17 H new ATOM 803 N GLU A 52 5.306 0.498 -5.408 1.00 0.49 N ATOM 804 CA GLU A 52 6.154 -0.434 -6.124 1.00 0.54 C ATOM 805 C GLU A 52 5.799 -1.859 -5.709 1.00 0.53 C ATOM 806 O GLU A 52 5.658 -2.751 -6.546 1.00 0.58 O ATOM 807 CB GLU A 52 7.607 -0.121 -5.795 1.00 0.59 C ATOM 808 CG GLU A 52 7.934 1.355 -5.945 1.00 0.63 C ATOM 809 CD GLU A 52 8.296 1.741 -7.362 1.00 0.87 C ATOM 810 OE1 GLU A 52 9.492 1.670 -7.716 1.00 1.10 O ATOM 811 OE2 GLU A 52 7.396 2.135 -8.126 1.00 1.07 O ATOM 0 H GLU A 52 5.777 0.985 -4.646 1.00 0.49 H new ATOM 0 HA GLU A 52 6.004 -0.341 -7.200 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.820 -0.435 -4.773 1.00 0.59 H new ATOM 0 HB3 GLU A 52 8.257 -0.702 -6.449 1.00 0.59 H new ATOM 0 HG2 GLU A 52 7.077 1.946 -5.621 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.763 1.607 -5.283 1.00 0.63 H new ATOM 818 N ALA A 53 5.642 -2.053 -4.402 1.00 0.49 N ATOM 819 CA ALA A 53 5.169 -3.322 -3.862 1.00 0.48 C ATOM 820 C ALA A 53 3.749 -3.591 -4.340 1.00 0.49 C ATOM 821 O ALA A 53 3.415 -4.703 -4.748 1.00 0.53 O ATOM 822 CB ALA A 53 5.225 -3.301 -2.338 1.00 0.45 C ATOM 0 H ALA A 53 5.837 -1.343 -3.696 1.00 0.49 H new ATOM 0 HA ALA A 53 5.816 -4.123 -4.219 1.00 0.48 H new ATOM 0 HB1 ALA A 53 4.869 -4.254 -1.948 1.00 0.45 H new ATOM 0 HB2 ALA A 53 6.253 -3.137 -2.014 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.593 -2.496 -1.962 1.00 0.45 H new ATOM 828 N GLY A 54 2.928 -2.550 -4.296 1.00 0.49 N ATOM 829 CA GLY A 54 1.566 -2.644 -4.773 1.00 0.53 C ATOM 830 C GLY A 54 1.502 -2.881 -6.264 1.00 0.60 C ATOM 831 O GLY A 54 0.606 -3.561 -6.740 1.00 0.70 O ATOM 0 H GLY A 54 3.187 -1.633 -3.933 1.00 0.49 H new ATOM 0 HA2 GLY A 54 1.056 -3.456 -4.255 1.00 0.53 H new ATOM 0 HA3 GLY A 54 1.032 -1.725 -4.529 1.00 0.53 H new ATOM 835 N ASP A 55 2.466 -2.332 -7.000 1.00 0.61 N ATOM 836 CA ASP A 55 2.534 -2.525 -8.447 1.00 0.69 C ATOM 837 C ASP A 55 2.620 -4.008 -8.766 1.00 0.70 C ATOM 838 O ASP A 55 1.886 -4.514 -9.606 1.00 0.79 O ATOM 839 CB ASP A 55 3.748 -1.802 -9.038 1.00 0.73 C ATOM 840 CG ASP A 55 3.711 -1.739 -10.552 1.00 0.85 C ATOM 841 OD1 ASP A 55 4.079 -2.741 -11.196 1.00 0.82 O ATOM 842 OD2 ASP A 55 3.315 -0.690 -11.108 1.00 1.04 O ATOM 0 H ASP A 55 3.211 -1.750 -6.618 1.00 0.61 H new ATOM 0 HA ASP A 55 1.631 -2.106 -8.891 1.00 0.69 H new ATOM 0 HB2 ASP A 55 3.793 -0.789 -8.637 1.00 0.73 H new ATOM 0 HB3 ASP A 55 4.658 -2.311 -8.722 1.00 0.73 H new ATOM 847 N GLU A 56 3.518 -4.688 -8.066 1.00 0.66 N ATOM 848 CA GLU A 56 3.678 -6.136 -8.175 1.00 0.74 C ATOM 849 C GLU A 56 2.454 -6.864 -7.649 1.00 0.77 C ATOM 850 O GLU A 56 2.161 -7.982 -8.065 1.00 0.88 O ATOM 851 CB GLU A 56 4.920 -6.578 -7.399 1.00 0.79 C ATOM 852 CG GLU A 56 6.221 -6.098 -8.016 1.00 1.24 C ATOM 853 CD GLU A 56 6.484 -6.731 -9.364 1.00 1.52 C ATOM 854 OE1 GLU A 56 6.824 -7.932 -9.403 1.00 1.43 O ATOM 855 OE2 GLU A 56 6.334 -6.041 -10.392 1.00 2.29 O ATOM 0 H GLU A 56 4.159 -4.252 -7.404 1.00 0.66 H new ATOM 0 HA GLU A 56 3.796 -6.389 -9.229 1.00 0.74 H new ATOM 0 HB2 GLU A 56 4.852 -6.205 -6.377 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.934 -7.666 -7.341 1.00 0.79 H new ATOM 0 HG2 GLU A 56 6.190 -5.014 -8.126 1.00 1.24 H new ATOM 0 HG3 GLU A 56 7.047 -6.327 -7.342 1.00 1.24 H new ATOM 862 N PHE A 57 1.753 -6.237 -6.727 1.00 0.71 N ATOM 863 CA PHE A 57 0.586 -6.853 -6.125 1.00 0.75 C ATOM 864 C PHE A 57 -0.643 -6.715 -7.020 1.00 0.78 C ATOM 865 O PHE A 57 -1.538 -7.557 -6.978 1.00 0.91 O ATOM 866 CB PHE A 57 0.308 -6.247 -4.753 1.00 0.76 C ATOM 867 CG PHE A 57 -0.571 -7.121 -3.914 1.00 1.09 C ATOM 868 CD1 PHE A 57 -0.330 -8.476 -3.813 1.00 1.37 C ATOM 869 CD2 PHE A 57 -1.635 -6.575 -3.210 1.00 1.71 C ATOM 870 CE1 PHE A 57 -1.134 -9.275 -3.028 1.00 1.79 C ATOM 871 CE2 PHE A 57 -2.442 -7.369 -2.421 1.00 2.29 C ATOM 872 CZ PHE A 57 -2.208 -8.760 -2.389 1.00 2.20 C ATOM 0 H PHE A 57 1.969 -5.303 -6.378 1.00 0.71 H new ATOM 0 HA PHE A 57 0.799 -7.915 -6.006 1.00 0.75 H new ATOM 0 HB2 PHE A 57 1.252 -6.080 -4.234 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -0.165 -5.273 -4.877 1.00 0.76 H new ATOM 0 HD1 PHE A 57 0.496 -8.915 -4.354 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -1.834 -5.516 -3.280 1.00 1.71 H new ATOM 0 HE1 PHE A 57 -0.903 -10.325 -2.922 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -3.239 -6.933 -1.838 1.00 2.29 H new ATOM 0 HZ PHE A 57 -2.885 -9.411 -1.856 1.00 2.20 H new ATOM 882 N GLU A 58 -0.670 -5.663 -7.831 1.00 0.73 N ATOM 883 CA GLU A 58 -1.793 -5.384 -8.718 1.00 0.82 C ATOM 884 C GLU A 58 -2.192 -6.591 -9.530 1.00 0.82 C ATOM 885 O GLU A 58 -3.243 -7.178 -9.308 1.00 0.89 O ATOM 886 CB GLU A 58 -1.427 -4.254 -9.642 1.00 0.86 C ATOM 887 CG GLU A 58 -1.359 -2.960 -8.896 1.00 0.91 C ATOM 888 CD GLU A 58 -2.736 -2.418 -8.566 1.00 0.93 C ATOM 889 OE1 GLU A 58 -3.476 -2.040 -9.493 1.00 1.30 O ATOM 890 OE2 GLU A 58 -3.079 -2.341 -7.364 1.00 1.24 O ATOM 0 H GLU A 58 0.085 -4.980 -7.892 1.00 0.73 H new ATOM 0 HA GLU A 58 -2.647 -5.110 -8.098 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -0.465 -4.459 -10.112 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -2.163 -4.179 -10.442 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -0.796 -3.103 -7.974 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -0.815 -2.227 -9.492 1.00 0.91 H new ATOM 897 N LEU A 59 -1.321 -6.964 -10.450 1.00 0.81 N ATOM 898 CA LEU A 59 -1.544 -8.097 -11.332 1.00 0.87 C ATOM 899 C LEU A 59 -1.858 -9.358 -10.544 1.00 0.85 C ATOM 900 O LEU A 59 -2.656 -10.192 -10.976 1.00 0.96 O ATOM 901 CB LEU A 59 -0.337 -8.308 -12.276 1.00 0.96 C ATOM 902 CG LEU A 59 1.093 -8.304 -11.684 1.00 1.06 C ATOM 903 CD1 LEU A 59 1.408 -7.049 -10.923 1.00 1.54 C ATOM 904 CD2 LEU A 59 1.383 -9.518 -10.828 1.00 1.46 C ATOM 0 H LEU A 59 -0.433 -6.487 -10.608 1.00 0.81 H new ATOM 0 HA LEU A 59 -2.415 -7.874 -11.949 1.00 0.87 H new ATOM 0 HB2 LEU A 59 -0.480 -9.262 -12.783 1.00 0.96 H new ATOM 0 HB3 LEU A 59 -0.378 -7.532 -13.040 1.00 0.96 H new ATOM 0 HG LEU A 59 1.751 -8.343 -12.552 1.00 1.06 H new ATOM 0 HD11 LEU A 59 2.424 -7.106 -10.532 1.00 1.54 H new ATOM 0 HD12 LEU A 59 1.322 -6.189 -11.588 1.00 1.54 H new ATOM 0 HD13 LEU A 59 0.707 -6.939 -10.096 1.00 1.54 H new ATOM 0 HD21 LEU A 59 2.401 -9.457 -10.442 1.00 1.46 H new ATOM 0 HD22 LEU A 59 0.681 -9.552 -9.995 1.00 1.46 H new ATOM 0 HD23 LEU A 59 1.277 -10.421 -11.429 1.00 1.46 H new ATOM 916 N ARG A 60 -1.221 -9.486 -9.394 1.00 0.83 N ATOM 917 CA ARG A 60 -1.480 -10.588 -8.482 1.00 0.90 C ATOM 918 C ARG A 60 -2.972 -10.748 -8.171 1.00 0.98 C ATOM 919 O ARG A 60 -3.570 -11.780 -8.485 1.00 1.15 O ATOM 920 CB ARG A 60 -0.691 -10.399 -7.187 1.00 1.03 C ATOM 921 CG ARG A 60 0.796 -10.665 -7.339 1.00 1.00 C ATOM 922 CD ARG A 60 1.123 -12.129 -7.110 1.00 1.07 C ATOM 923 NE ARG A 60 0.328 -13.024 -7.950 1.00 1.41 N ATOM 924 CZ ARG A 60 -0.050 -14.248 -7.583 1.00 1.94 C ATOM 925 NH1 ARG A 60 0.322 -14.741 -6.406 1.00 2.43 N ATOM 926 NH2 ARG A 60 -0.794 -14.977 -8.400 1.00 2.58 N ATOM 0 H ARG A 60 -0.511 -8.831 -9.066 1.00 0.83 H new ATOM 0 HA ARG A 60 -1.152 -11.501 -8.979 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -0.835 -9.380 -6.829 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -1.095 -11.065 -6.424 1.00 1.03 H new ATOM 0 HG2 ARG A 60 1.120 -10.370 -8.337 1.00 1.00 H new ATOM 0 HG3 ARG A 60 1.351 -10.051 -6.630 1.00 1.00 H new ATOM 0 HD2 ARG A 60 2.182 -12.296 -7.309 1.00 1.07 H new ATOM 0 HD3 ARG A 60 0.953 -12.375 -6.062 1.00 1.07 H new ATOM 0 HE ARG A 60 0.046 -12.691 -8.872 1.00 1.41 H new ATOM 0 HH11 ARG A 60 0.900 -14.182 -5.778 1.00 2.43 H new ATOM 0 HH12 ARG A 60 0.030 -15.679 -6.130 1.00 2.43 H new ATOM 0 HH21 ARG A 60 -1.075 -14.601 -9.306 1.00 2.58 H new ATOM 0 HH22 ARG A 60 -1.086 -15.915 -8.124 1.00 2.58 H new ATOM 940 N TYR A 61 -3.579 -9.729 -7.563 1.00 1.04 N ATOM 941 CA TYR A 61 -4.975 -9.834 -7.140 1.00 1.26 C ATOM 942 C TYR A 61 -5.939 -9.352 -8.222 1.00 1.32 C ATOM 943 O TYR A 61 -7.145 -9.567 -8.120 1.00 1.59 O ATOM 944 CB TYR A 61 -5.226 -9.066 -5.829 1.00 1.52 C ATOM 945 CG TYR A 61 -5.192 -7.550 -5.945 1.00 2.19 C ATOM 946 CD1 TYR A 61 -6.314 -6.834 -6.349 1.00 2.84 C ATOM 947 CD2 TYR A 61 -4.047 -6.835 -5.629 1.00 2.70 C ATOM 948 CE1 TYR A 61 -6.292 -5.454 -6.436 1.00 3.86 C ATOM 949 CE2 TYR A 61 -4.015 -5.456 -5.715 1.00 3.67 C ATOM 950 CZ TYR A 61 -5.139 -4.771 -6.119 1.00 4.23 C ATOM 951 OH TYR A 61 -5.113 -3.397 -6.199 1.00 5.32 O ATOM 0 H TYR A 61 -3.135 -8.835 -7.355 1.00 1.04 H new ATOM 0 HA TYR A 61 -5.167 -10.893 -6.965 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -6.198 -9.362 -5.435 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -4.479 -9.374 -5.098 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -7.220 -7.366 -6.600 1.00 2.84 H new ATOM 0 HD2 TYR A 61 -3.163 -7.366 -5.309 1.00 2.70 H new ATOM 0 HE1 TYR A 61 -7.174 -4.915 -6.751 1.00 3.86 H new ATOM 0 HE2 TYR A 61 -3.112 -4.918 -5.466 1.00 3.67 H new ATOM 0 HH TYR A 61 -4.191 -3.095 -6.339 1.00 5.32 H new ATOM 961 N ARG A 62 -5.409 -8.706 -9.257 1.00 1.28 N ATOM 962 CA ARG A 62 -6.243 -8.121 -10.306 1.00 1.39 C ATOM 963 C ARG A 62 -7.043 -9.191 -11.037 1.00 1.07 C ATOM 964 O ARG A 62 -8.144 -8.931 -11.520 1.00 1.30 O ATOM 965 CB ARG A 62 -5.395 -7.322 -11.298 1.00 1.72 C ATOM 966 CG ARG A 62 -6.215 -6.555 -12.321 1.00 2.15 C ATOM 967 CD ARG A 62 -5.342 -5.661 -13.182 1.00 2.51 C ATOM 968 NE ARG A 62 -4.703 -4.593 -12.411 1.00 3.10 N ATOM 969 CZ ARG A 62 -3.619 -3.932 -12.821 1.00 3.59 C ATOM 970 NH1 ARG A 62 -3.051 -4.245 -13.983 1.00 3.59 N ATOM 971 NH2 ARG A 62 -3.102 -2.964 -12.074 1.00 4.48 N ATOM 0 H ARG A 62 -4.407 -8.574 -9.393 1.00 1.28 H new ATOM 0 HA ARG A 62 -6.945 -7.441 -9.824 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -4.770 -6.620 -10.746 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -4.724 -8.004 -11.820 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -6.755 -7.258 -12.956 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -6.963 -5.950 -11.809 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -4.574 -6.265 -13.666 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -5.948 -5.221 -13.974 1.00 2.51 H new ATOM 0 HE ARG A 62 -5.109 -4.340 -11.510 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -3.444 -4.989 -14.559 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -2.222 -3.741 -14.298 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -3.534 -2.722 -11.182 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -2.273 -2.462 -12.392 1.00 4.48 H new ATOM 985 N ARG A 63 -6.492 -10.394 -11.104 1.00 0.98 N ATOM 986 CA ARG A 63 -7.187 -11.514 -11.722 1.00 1.19 C ATOM 987 C ARG A 63 -8.442 -11.871 -10.930 1.00 1.20 C ATOM 988 O ARG A 63 -9.460 -12.260 -11.503 1.00 1.45 O ATOM 989 CB ARG A 63 -6.271 -12.738 -11.812 1.00 1.61 C ATOM 990 CG ARG A 63 -5.072 -12.548 -12.725 1.00 2.18 C ATOM 991 CD ARG A 63 -4.239 -13.818 -12.809 1.00 2.52 C ATOM 992 NE ARG A 63 -3.075 -13.662 -13.680 1.00 3.12 N ATOM 993 CZ ARG A 63 -2.027 -14.486 -13.676 1.00 3.84 C ATOM 994 NH1 ARG A 63 -2.009 -15.534 -12.861 1.00 4.07 N ATOM 995 NH2 ARG A 63 -0.998 -14.262 -14.488 1.00 4.72 N ATOM 0 H ARG A 63 -5.567 -10.620 -10.739 1.00 0.98 H new ATOM 0 HA ARG A 63 -7.475 -11.214 -12.729 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -5.917 -12.988 -10.812 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -6.853 -13.589 -12.166 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -5.411 -12.266 -13.722 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -4.455 -11.729 -12.354 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -3.907 -14.099 -11.809 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -4.860 -14.633 -13.179 1.00 2.52 H new ATOM 0 HE ARG A 63 -3.064 -12.876 -14.330 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -2.797 -15.709 -12.238 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -1.207 -16.164 -12.858 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -1.009 -13.458 -15.116 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -0.197 -14.894 -14.483 1.00 4.72 H new ATOM 1009 N ALA A 64 -8.365 -11.731 -9.613 1.00 1.07 N ATOM 1010 CA ALA A 64 -9.469 -12.107 -8.745 1.00 1.09 C ATOM 1011 C ALA A 64 -10.418 -10.945 -8.476 1.00 1.08 C ATOM 1012 O ALA A 64 -11.621 -11.085 -8.649 1.00 1.05 O ATOM 1013 CB ALA A 64 -8.956 -12.662 -7.427 1.00 1.17 C ATOM 0 H ALA A 64 -7.550 -11.360 -9.125 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.028 -12.880 -9.272 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -9.800 -12.936 -6.794 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -8.344 -13.543 -7.617 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -8.356 -11.905 -6.923 1.00 1.17 H new ATOM 1019 N PHE A 65 -9.875 -9.796 -8.070 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.687 -8.708 -7.507 1.00 1.22 C ATOM 1021 C PHE A 65 -11.784 -8.236 -8.466 1.00 1.19 C ATOM 1022 O PHE A 65 -12.829 -7.753 -8.026 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.801 -7.530 -7.071 1.00 1.47 C ATOM 1024 CG PHE A 65 -9.663 -6.430 -8.088 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -8.833 -6.573 -9.184 1.00 1.98 C ATOM 1026 CD2 PHE A 65 -10.368 -5.246 -7.939 1.00 1.67 C ATOM 1027 CE1 PHE A 65 -8.709 -5.559 -10.114 1.00 2.59 C ATOM 1028 CE2 PHE A 65 -10.248 -4.231 -8.865 1.00 2.44 C ATOM 1029 CZ PHE A 65 -9.417 -4.388 -9.954 1.00 2.81 C ATOM 0 H PHE A 65 -8.877 -9.592 -8.119 1.00 1.14 H new ATOM 0 HA PHE A 65 -11.187 -9.113 -6.627 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -10.210 -7.107 -6.153 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -8.808 -7.910 -6.832 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -8.275 -7.488 -9.315 1.00 1.98 H new ATOM 0 HD2 PHE A 65 -11.019 -5.117 -7.087 1.00 1.67 H new ATOM 0 HE1 PHE A 65 -8.057 -5.684 -10.966 1.00 2.59 H new ATOM 0 HE2 PHE A 65 -10.804 -3.314 -8.737 1.00 2.44 H new ATOM 0 HZ PHE A 65 -9.321 -3.594 -10.680 1.00 2.81 H new ATOM 1039 N SER A 66 -11.557 -8.394 -9.765 1.00 1.20 N ATOM 1040 CA SER A 66 -12.552 -8.021 -10.759 1.00 1.24 C ATOM 1041 C SER A 66 -13.804 -8.887 -10.616 1.00 1.13 C ATOM 1042 O SER A 66 -14.921 -8.429 -10.849 1.00 1.16 O ATOM 1043 CB SER A 66 -11.950 -8.147 -12.158 1.00 1.45 C ATOM 1044 OG SER A 66 -11.150 -9.314 -12.263 1.00 2.19 O ATOM 0 H SER A 66 -10.695 -8.777 -10.152 1.00 1.20 H new ATOM 0 HA SER A 66 -12.849 -6.984 -10.600 1.00 1.24 H new ATOM 0 HB2 SER A 66 -12.748 -8.181 -12.900 1.00 1.45 H new ATOM 0 HB3 SER A 66 -11.346 -7.267 -12.379 1.00 1.45 H new ATOM 0 HG SER A 66 -10.218 -9.091 -12.060 1.00 2.19 H new ATOM 1050 N ASP A 67 -13.600 -10.136 -10.218 1.00 1.09 N ATOM 1051 CA ASP A 67 -14.697 -11.051 -9.919 1.00 1.08 C ATOM 1052 C ASP A 67 -15.071 -10.942 -8.446 1.00 0.97 C ATOM 1053 O ASP A 67 -16.234 -11.084 -8.065 1.00 1.01 O ATOM 1054 CB ASP A 67 -14.285 -12.492 -10.247 1.00 1.18 C ATOM 1055 CG ASP A 67 -15.335 -13.512 -9.843 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -16.394 -13.581 -10.503 1.00 2.72 O ATOM 1057 OD2 ASP A 67 -15.104 -14.256 -8.864 1.00 2.06 O ATOM 0 H ASP A 67 -12.673 -10.544 -10.093 1.00 1.09 H new ATOM 0 HA ASP A 67 -15.560 -10.783 -10.529 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -14.096 -12.576 -11.317 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -13.348 -12.721 -9.739 1.00 1.18 H new ATOM 1062 N LEU A 68 -14.063 -10.663 -7.625 1.00 0.89 N ATOM 1063 CA LEU A 68 -14.227 -10.565 -6.179 1.00 0.85 C ATOM 1064 C LEU A 68 -15.214 -9.483 -5.778 1.00 0.76 C ATOM 1065 O LEU A 68 -15.728 -9.522 -4.677 1.00 0.77 O ATOM 1066 CB LEU A 68 -12.882 -10.305 -5.491 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.141 -11.544 -4.981 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -12.226 -12.680 -5.980 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -10.693 -11.201 -4.675 1.00 1.56 C ATOM 0 H LEU A 68 -13.108 -10.498 -7.944 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.627 -11.524 -5.851 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -12.233 -9.780 -6.192 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.050 -9.634 -4.649 1.00 0.91 H new ATOM 0 HG LEU A 68 -12.622 -11.876 -4.061 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -11.691 -13.547 -5.592 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -13.271 -12.942 -6.145 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -11.777 -12.369 -6.923 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -10.177 -12.090 -4.313 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -10.205 -10.842 -5.581 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -10.657 -10.424 -3.911 1.00 1.56 H new ATOM 1081 N THR A 69 -15.491 -8.528 -6.656 1.00 0.70 N ATOM 1082 CA THR A 69 -16.432 -7.463 -6.325 1.00 0.62 C ATOM 1083 C THR A 69 -17.795 -8.030 -5.961 1.00 0.63 C ATOM 1084 O THR A 69 -18.529 -7.441 -5.169 1.00 0.60 O ATOM 1085 CB THR A 69 -16.581 -6.453 -7.469 1.00 0.62 C ATOM 1086 OG1 THR A 69 -16.502 -7.126 -8.734 1.00 0.69 O ATOM 1087 CG2 THR A 69 -15.511 -5.389 -7.373 1.00 0.63 C ATOM 0 H THR A 69 -15.085 -8.467 -7.590 1.00 0.70 H new ATOM 0 HA THR A 69 -16.021 -6.940 -5.461 1.00 0.62 H new ATOM 0 HB THR A 69 -17.556 -5.972 -7.387 1.00 0.62 H new ATOM 0 HG1 THR A 69 -16.600 -6.473 -9.458 1.00 0.69 H new ATOM 0 HG21 THR A 69 -15.629 -4.679 -8.192 1.00 0.63 H new ATOM 0 HG22 THR A 69 -15.603 -4.865 -6.422 1.00 0.63 H new ATOM 0 HG23 THR A 69 -14.528 -5.855 -7.436 1.00 0.63 H new ATOM 1095 N SER A 70 -18.111 -9.187 -6.524 1.00 0.72 N ATOM 1096 CA SER A 70 -19.318 -9.904 -6.168 1.00 0.80 C ATOM 1097 C SER A 70 -19.165 -10.487 -4.771 1.00 0.76 C ATOM 1098 O SER A 70 -20.104 -10.508 -3.982 1.00 0.76 O ATOM 1099 CB SER A 70 -19.568 -11.020 -7.172 1.00 0.96 C ATOM 1100 OG SER A 70 -20.833 -11.630 -6.971 1.00 1.34 O ATOM 0 H SER A 70 -17.542 -9.648 -7.233 1.00 0.72 H new ATOM 0 HA SER A 70 -20.166 -9.219 -6.182 1.00 0.80 H new ATOM 0 HB2 SER A 70 -19.514 -10.619 -8.184 1.00 0.96 H new ATOM 0 HB3 SER A 70 -18.783 -11.771 -7.085 1.00 0.96 H new ATOM 0 HG SER A 70 -20.962 -12.341 -7.633 1.00 1.34 H new ATOM 1106 N GLN A 71 -17.956 -10.941 -4.473 1.00 0.77 N ATOM 1107 CA GLN A 71 -17.640 -11.500 -3.171 1.00 0.77 C ATOM 1108 C GLN A 71 -17.674 -10.406 -2.109 1.00 0.67 C ATOM 1109 O GLN A 71 -18.153 -10.626 -0.998 1.00 0.74 O ATOM 1110 CB GLN A 71 -16.269 -12.182 -3.202 1.00 0.81 C ATOM 1111 CG GLN A 71 -16.116 -13.186 -4.329 1.00 0.99 C ATOM 1112 CD GLN A 71 -14.933 -14.114 -4.136 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -13.925 -13.651 -3.412 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -14.927 -15.245 -4.618 1.00 1.42 N flip ATOM 0 H GLN A 71 -17.172 -10.932 -5.125 1.00 0.77 H new ATOM 0 HA GLN A 71 -18.389 -12.251 -2.919 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -15.495 -11.420 -3.298 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -16.102 -12.688 -2.251 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -17.027 -13.779 -4.407 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -16.002 -12.651 -5.272 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -15.721 -15.568 -5.171 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -14.128 -15.860 -4.465 1.00 1.42 H new ATOM 1123 N LEU A 72 -17.159 -9.224 -2.452 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.280 -8.067 -1.584 1.00 0.55 C ATOM 1125 C LEU A 72 -18.730 -7.598 -1.512 1.00 0.47 C ATOM 1126 O LEU A 72 -19.178 -7.114 -0.480 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.430 -6.897 -2.100 1.00 0.59 C ATOM 1128 CG LEU A 72 -14.911 -6.970 -1.895 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.558 -7.384 -0.479 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.241 -7.865 -2.923 1.00 1.35 C ATOM 0 H LEU A 72 -16.657 -9.050 -3.323 1.00 0.59 H new ATOM 0 HA LEU A 72 -16.931 -8.370 -0.597 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -16.619 -6.792 -3.168 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.789 -5.986 -1.621 1.00 0.59 H new ATOM 0 HG LEU A 72 -14.521 -5.964 -2.047 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.474 -7.425 -0.371 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -14.965 -6.658 0.225 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -14.981 -8.367 -0.271 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.167 -7.888 -2.741 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.644 -8.875 -2.844 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -14.431 -7.476 -3.923 1.00 1.35 H new ATOM 1142 N HIS A 73 -19.463 -7.768 -2.609 1.00 0.48 N ATOM 1143 CA HIS A 73 -20.797 -7.184 -2.743 1.00 0.48 C ATOM 1144 C HIS A 73 -20.673 -5.670 -2.644 1.00 0.43 C ATOM 1145 O HIS A 73 -21.377 -5.011 -1.877 1.00 0.52 O ATOM 1146 CB HIS A 73 -21.771 -7.727 -1.686 1.00 0.55 C ATOM 1147 CG HIS A 73 -22.095 -9.176 -1.863 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -21.644 -10.160 -1.012 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -22.825 -9.807 -2.809 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -22.078 -11.331 -1.430 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -22.799 -11.148 -2.519 1.00 2.62 N ATOM 0 H HIS A 73 -19.156 -8.306 -3.420 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.210 -7.462 -3.713 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.341 -7.577 -0.696 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -22.694 -7.149 -1.723 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -23.335 -9.342 -3.640 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -21.877 -12.282 -0.960 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -23.261 -11.882 -3.057 1.00 2.62 H new ATOM 1160 N ILE A 74 -19.731 -5.157 -3.427 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.383 -3.744 -3.459 1.00 0.41 C ATOM 1162 C ILE A 74 -20.604 -2.851 -3.649 1.00 0.49 C ATOM 1163 O ILE A 74 -21.243 -2.847 -4.705 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.357 -3.503 -4.576 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.073 -4.255 -4.245 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -18.071 -2.026 -4.752 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.359 -3.708 -3.027 1.00 0.39 C ATOM 0 H ILE A 74 -19.178 -5.724 -4.069 1.00 0.45 H new ATOM 0 HA ILE A 74 -18.951 -3.479 -2.494 1.00 0.41 H new ATOM 0 HB ILE A 74 -18.769 -3.872 -5.516 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.308 -5.306 -4.079 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.402 -4.210 -5.103 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.341 -1.889 -5.550 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -18.993 -1.505 -5.010 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.673 -1.619 -3.822 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.453 -4.287 -2.846 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -16.094 -2.665 -3.198 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.014 -3.778 -2.159 1.00 0.39 H new ATOM 1179 N THR A 75 -20.895 -2.092 -2.605 1.00 0.38 N ATOM 1180 CA THR A 75 -22.102 -1.304 -2.508 1.00 0.40 C ATOM 1181 C THR A 75 -21.812 -0.123 -1.549 1.00 0.37 C ATOM 1182 O THR A 75 -20.643 0.088 -1.220 1.00 0.34 O ATOM 1183 CB THR A 75 -23.247 -2.236 -2.002 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.512 -1.843 -2.546 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.324 -2.267 -0.482 1.00 0.46 C ATOM 0 H THR A 75 -20.286 -2.008 -1.791 1.00 0.38 H new ATOM 0 HA THR A 75 -22.418 -0.889 -3.465 1.00 0.40 H new ATOM 0 HB THR A 75 -23.010 -3.242 -2.350 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.212 -2.444 -2.215 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.134 -2.927 -0.172 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.381 -2.635 -0.077 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.512 -1.261 -0.107 1.00 0.46 H new ATOM 1193 N PRO A 76 -22.824 0.704 -1.161 1.00 0.38 N ATOM 1194 CA PRO A 76 -22.753 1.668 -0.052 1.00 0.37 C ATOM 1195 C PRO A 76 -21.818 1.279 1.102 1.00 0.35 C ATOM 1196 O PRO A 76 -21.390 0.133 1.212 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.203 1.724 0.441 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.043 1.147 -0.659 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.123 0.844 -1.812 1.00 0.44 C ATOM 0 HA PRO A 76 -22.335 2.613 -0.398 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.323 1.154 1.362 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.500 2.750 0.660 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.548 0.242 -0.322 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -25.818 1.851 -0.961 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.415 -0.068 -2.333 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.121 1.646 -2.550 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.541 2.279 1.954 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.566 2.206 3.054 1.00 0.37 C ATOM 1209 C GLY A 77 -20.328 0.845 3.685 1.00 0.38 C ATOM 1210 O GLY A 77 -19.220 0.567 4.138 1.00 0.40 O ATOM 0 H GLY A 77 -22.002 3.187 1.895 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -19.611 2.578 2.683 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -20.891 2.889 3.839 1.00 0.37 H new ATOM 1214 N THR A 78 -21.338 -0.002 3.712 1.00 0.40 N ATOM 1215 CA THR A 78 -21.221 -1.318 4.309 1.00 0.42 C ATOM 1216 C THR A 78 -20.251 -2.220 3.539 1.00 0.38 C ATOM 1217 O THR A 78 -20.032 -3.370 3.913 1.00 0.40 O ATOM 1218 CB THR A 78 -22.600 -1.978 4.412 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.296 -1.851 3.164 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.402 -1.314 5.511 1.00 0.56 C ATOM 0 H THR A 78 -22.259 0.201 3.323 1.00 0.40 H new ATOM 0 HA THR A 78 -20.810 -1.186 5.310 1.00 0.42 H new ATOM 0 HB THR A 78 -22.473 -3.035 4.645 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.176 -2.276 3.236 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.382 -1.786 5.582 1.00 0.56 H new ATOM 0 HG22 THR A 78 -22.878 -1.423 6.460 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.524 -0.255 5.283 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.639 -1.674 2.490 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.574 -2.359 1.777 1.00 0.31 C ATOM 1230 C ALA A 79 -17.331 -2.444 2.653 1.00 0.30 C ATOM 1231 O ALA A 79 -16.391 -3.179 2.355 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.257 -1.644 0.471 1.00 0.32 C ATOM 0 H ALA A 79 -19.868 -0.753 2.117 1.00 0.34 H new ATOM 0 HA ALA A 79 -18.907 -3.369 1.540 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.457 -2.172 -0.048 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.147 -1.624 -0.158 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -17.940 -0.623 0.683 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.337 -1.689 3.748 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.258 -1.760 4.719 1.00 0.36 C ATOM 1240 C TYR A 80 -16.377 -3.053 5.504 1.00 0.36 C ATOM 1241 O TYR A 80 -15.411 -3.529 6.078 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.276 -0.555 5.669 1.00 0.44 C ATOM 1243 CG TYR A 80 -17.176 -0.717 6.880 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -18.532 -0.433 6.815 1.00 2.21 C ATOM 1245 CD2 TYR A 80 -16.656 -1.153 8.092 1.00 1.69 C ATOM 1246 CE1 TYR A 80 -19.345 -0.579 7.922 1.00 3.13 C ATOM 1247 CE2 TYR A 80 -17.462 -1.303 9.202 1.00 2.52 C ATOM 1248 CZ TYR A 80 -18.804 -1.015 9.112 1.00 3.12 C ATOM 1249 OH TYR A 80 -19.608 -1.163 10.216 1.00 4.13 O ATOM 0 H TYR A 80 -18.075 -1.025 3.981 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.308 -1.739 4.185 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -15.259 -0.364 6.012 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -16.595 0.326 5.111 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -18.959 -0.092 5.884 1.00 2.21 H new ATOM 0 HD2 TYR A 80 -15.602 -1.379 8.167 1.00 1.69 H new ATOM 0 HE1 TYR A 80 -20.399 -0.353 7.855 1.00 3.13 H new ATOM 0 HE2 TYR A 80 -17.041 -1.645 10.136 1.00 2.52 H new ATOM 0 HH TYR A 80 -19.071 -1.479 10.972 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.581 -3.614 5.517 1.00 0.37 N ATOM 1260 CA GLN A 81 -17.814 -4.907 6.143 1.00 0.41 C ATOM 1261 C GLN A 81 -17.388 -6.014 5.196 1.00 0.41 C ATOM 1262 O GLN A 81 -17.046 -7.123 5.605 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.281 -5.071 6.543 1.00 0.45 C ATOM 1264 CG GLN A 81 -19.643 -4.357 7.832 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.039 -4.699 8.315 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -21.230 -5.648 9.075 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -22.022 -3.927 7.881 1.00 0.79 N ATOM 0 H GLN A 81 -18.411 -3.192 5.100 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.218 -4.967 7.054 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -19.913 -4.694 5.739 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -19.503 -6.133 6.651 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -18.920 -4.621 8.604 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -19.569 -3.280 7.680 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.820 -3.150 7.252 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -22.981 -4.109 8.176 1.00 0.79 H new ATOM 1276 N SER A 82 -17.420 -5.686 3.928 1.00 0.39 N ATOM 1277 CA SER A 82 -16.899 -6.539 2.884 1.00 0.41 C ATOM 1278 C SER A 82 -15.379 -6.558 2.954 1.00 0.41 C ATOM 1279 O SER A 82 -14.750 -7.616 3.001 1.00 0.48 O ATOM 1280 CB SER A 82 -17.357 -5.983 1.545 1.00 0.41 C ATOM 1281 OG SER A 82 -18.737 -5.661 1.590 1.00 0.43 O ATOM 0 H SER A 82 -17.813 -4.809 3.586 1.00 0.39 H new ATOM 0 HA SER A 82 -17.264 -7.559 3.005 1.00 0.41 H new ATOM 0 HB2 SER A 82 -16.778 -5.094 1.296 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.173 -6.714 0.758 1.00 0.41 H new ATOM 0 HG SER A 82 -19.244 -6.321 1.072 1.00 0.43 H new ATOM 1287 N PHE A 83 -14.803 -5.364 2.978 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.366 -5.193 3.112 1.00 0.37 C ATOM 1289 C PHE A 83 -12.907 -5.607 4.508 1.00 0.38 C ATOM 1290 O PHE A 83 -11.731 -5.878 4.742 1.00 0.39 O ATOM 1291 CB PHE A 83 -12.996 -3.738 2.814 1.00 0.36 C ATOM 1292 CG PHE A 83 -11.530 -3.446 2.943 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -10.626 -3.956 2.027 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.057 -2.651 3.975 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.279 -3.681 2.139 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -9.710 -2.374 4.091 1.00 1.05 C ATOM 1297 CZ PHE A 83 -8.816 -2.923 3.188 1.00 1.18 C ATOM 0 H PHE A 83 -15.320 -4.488 2.905 1.00 0.38 H new ATOM 0 HA PHE A 83 -12.856 -5.835 2.394 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.318 -3.491 1.802 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.547 -3.087 3.492 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -10.979 -4.576 1.216 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -11.750 -2.244 4.696 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -8.588 -4.062 1.402 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.355 -1.731 4.883 1.00 1.05 H new ATOM 0 HZ PHE A 83 -7.756 -2.756 3.308 1.00 1.18 H new ATOM 1307 N GLU A 84 -13.856 -5.660 5.423 1.00 0.41 N ATOM 1308 CA GLU A 84 -13.602 -6.100 6.790 1.00 0.48 C ATOM 1309 C GLU A 84 -13.065 -7.516 6.796 1.00 0.52 C ATOM 1310 O GLU A 84 -12.074 -7.814 7.452 1.00 0.55 O ATOM 1311 CB GLU A 84 -14.886 -6.065 7.604 1.00 0.55 C ATOM 1312 CG GLU A 84 -14.719 -6.568 9.019 1.00 0.62 C ATOM 1313 CD GLU A 84 -15.992 -6.473 9.830 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -16.240 -5.416 10.445 1.00 0.80 O ATOM 1315 OE2 GLU A 84 -16.753 -7.461 9.865 1.00 0.78 O ATOM 0 H GLU A 84 -14.826 -5.400 5.244 1.00 0.41 H new ATOM 0 HA GLU A 84 -12.868 -5.425 7.230 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.260 -5.042 7.633 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -15.642 -6.667 7.100 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.387 -7.606 8.994 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -13.935 -5.994 9.513 1.00 0.62 H new ATOM 1322 N GLN A 85 -13.759 -8.375 6.071 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.359 -9.769 5.880 1.00 0.65 C ATOM 1324 C GLN A 85 -11.898 -9.859 5.486 1.00 0.64 C ATOM 1325 O GLN A 85 -11.193 -10.802 5.847 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.226 -10.386 4.788 1.00 0.69 C ATOM 1327 CG GLN A 85 -15.692 -10.192 5.055 1.00 0.79 C ATOM 1328 CD GLN A 85 -16.595 -10.778 4.002 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.266 -11.761 3.343 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -17.754 -10.180 3.851 1.00 1.62 N ATOM 0 H GLN A 85 -14.625 -8.128 5.591 1.00 0.57 H new ATOM 0 HA GLN A 85 -13.494 -10.310 6.816 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -13.971 -9.940 3.827 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.009 -11.452 4.712 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -15.937 -10.641 6.018 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -15.896 -9.125 5.139 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -17.986 -9.366 4.420 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -18.423 -10.530 3.165 1.00 1.62 H new ATOM 1339 N VAL A 86 -11.458 -8.851 4.763 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.106 -8.795 4.264 1.00 0.62 C ATOM 1341 C VAL A 86 -9.163 -8.242 5.320 1.00 0.55 C ATOM 1342 O VAL A 86 -8.162 -8.852 5.650 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.012 -7.912 3.024 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -8.860 -8.391 2.179 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -11.318 -7.913 2.244 1.00 1.30 C ATOM 0 H VAL A 86 -12.031 -8.047 4.506 1.00 0.58 H new ATOM 0 HA VAL A 86 -9.818 -9.814 4.007 1.00 0.62 H new ATOM 0 HB VAL A 86 -9.833 -6.879 3.324 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -8.779 -7.769 1.287 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -7.936 -8.324 2.753 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -9.031 -9.427 1.885 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -11.218 -7.274 1.366 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -11.552 -8.930 1.928 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -12.121 -7.536 2.878 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.483 -7.087 5.867 1.00 0.51 N ATOM 1356 CA VAL A 87 -8.622 -6.480 6.871 1.00 0.51 C ATOM 1357 C VAL A 87 -8.518 -7.403 8.082 1.00 0.56 C ATOM 1358 O VAL A 87 -7.550 -7.365 8.836 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.142 -5.091 7.298 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.438 -5.192 8.091 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.083 -4.339 8.086 1.00 0.85 C ATOM 0 H VAL A 87 -10.321 -6.552 5.640 1.00 0.51 H new ATOM 0 HA VAL A 87 -7.633 -6.340 6.434 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.360 -4.530 6.389 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -10.771 -4.193 8.373 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.203 -5.670 7.479 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.269 -5.785 8.990 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.471 -3.363 8.377 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -7.823 -4.907 8.979 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.195 -4.207 7.468 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.532 -8.241 8.224 1.00 0.61 N ATOM 1372 CA ASN A 88 -9.562 -9.280 9.236 1.00 0.71 C ATOM 1373 C ASN A 88 -8.530 -10.359 8.944 1.00 0.78 C ATOM 1374 O ASN A 88 -7.695 -10.664 9.797 1.00 0.91 O ATOM 1375 CB ASN A 88 -10.956 -9.890 9.312 1.00 0.73 C ATOM 1376 CG ASN A 88 -11.730 -9.401 10.521 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -11.704 -10.022 11.584 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.425 -8.285 10.369 1.00 0.73 N ATOM 0 H ASN A 88 -10.364 -8.218 7.634 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.315 -8.830 10.197 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -11.508 -9.644 8.405 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -10.874 -10.976 9.350 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -12.965 -7.910 11.149 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.421 -7.800 9.472 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.555 -10.911 7.728 1.00 0.75 N ATOM 1386 CA GLU A 89 -7.632 -11.978 7.363 1.00 0.84 C ATOM 1387 C GLU A 89 -6.226 -11.442 7.418 1.00 0.82 C ATOM 1388 O GLU A 89 -5.289 -12.113 7.862 1.00 0.98 O ATOM 1389 CB GLU A 89 -7.930 -12.535 5.949 1.00 0.87 C ATOM 1390 CG GLU A 89 -7.986 -11.496 4.842 1.00 1.25 C ATOM 1391 CD GLU A 89 -6.655 -11.228 4.181 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -5.613 -11.641 4.723 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -6.649 -10.604 3.112 1.00 2.87 O ATOM 0 H GLU A 89 -9.201 -10.636 6.988 1.00 0.75 H new ATOM 0 HA GLU A 89 -7.754 -12.800 8.069 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.165 -13.270 5.697 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -8.883 -13.063 5.978 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -8.696 -11.826 4.084 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -8.370 -10.562 5.253 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.119 -10.191 7.016 1.00 0.69 N ATOM 1401 CA LEU A 90 -4.852 -9.585 6.744 1.00 0.64 C ATOM 1402 C LEU A 90 -4.022 -9.376 8.005 1.00 0.70 C ATOM 1403 O LEU A 90 -2.796 -9.274 7.938 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.076 -8.266 6.023 1.00 0.56 C ATOM 1405 CG LEU A 90 -5.265 -8.420 4.519 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -5.783 -7.151 3.915 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -3.974 -8.835 3.834 1.00 1.28 C ATOM 0 H LEU A 90 -6.917 -9.573 6.871 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.282 -10.264 6.110 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -5.954 -7.776 6.443 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -4.225 -7.610 6.209 1.00 0.56 H new ATOM 0 HG LEU A 90 -6.000 -9.210 4.363 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -5.910 -7.285 2.841 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -6.743 -6.899 4.365 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.073 -6.344 4.099 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -4.147 -8.935 2.762 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -3.210 -8.078 4.009 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -3.638 -9.790 4.238 1.00 1.28 H new ATOM 1419 N PHE A 91 -4.685 -9.326 9.160 1.00 0.73 N ATOM 1420 CA PHE A 91 -3.989 -9.007 10.398 1.00 0.82 C ATOM 1421 C PHE A 91 -3.821 -10.231 11.284 1.00 0.91 C ATOM 1422 O PHE A 91 -2.830 -10.360 12.000 1.00 1.06 O ATOM 1423 CB PHE A 91 -4.691 -7.868 11.168 1.00 0.88 C ATOM 1424 CG PHE A 91 -5.847 -8.292 12.044 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -5.626 -8.742 13.339 1.00 1.26 C ATOM 1426 CD2 PHE A 91 -7.147 -8.227 11.580 1.00 1.70 C ATOM 1427 CE1 PHE A 91 -6.682 -9.120 14.144 1.00 1.75 C ATOM 1428 CE2 PHE A 91 -8.207 -8.604 12.384 1.00 2.30 C ATOM 1429 CZ PHE A 91 -7.973 -9.051 13.666 1.00 2.23 C ATOM 0 H PHE A 91 -5.685 -9.499 9.261 1.00 0.73 H new ATOM 0 HA PHE A 91 -2.994 -8.661 10.118 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -3.952 -7.364 11.791 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -5.054 -7.135 10.447 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -4.617 -8.797 13.721 1.00 1.26 H new ATOM 0 HD2 PHE A 91 -7.338 -7.877 10.576 1.00 1.70 H new ATOM 0 HE1 PHE A 91 -6.496 -9.470 15.149 1.00 1.75 H new ATOM 0 HE2 PHE A 91 -9.218 -8.548 12.007 1.00 2.30 H new ATOM 0 HZ PHE A 91 -8.799 -9.347 14.295 1.00 2.23 H new ATOM 1439 N ARG A 92 -4.772 -11.136 11.222 1.00 0.96 N ATOM 1440 CA ARG A 92 -4.782 -12.262 12.144 1.00 1.11 C ATOM 1441 C ARG A 92 -3.840 -13.357 11.671 1.00 0.83 C ATOM 1442 O ARG A 92 -3.340 -14.153 12.462 1.00 0.90 O ATOM 1443 CB ARG A 92 -6.196 -12.821 12.284 1.00 1.53 C ATOM 1444 CG ARG A 92 -6.532 -13.913 11.283 1.00 1.62 C ATOM 1445 CD ARG A 92 -7.668 -13.505 10.376 1.00 2.21 C ATOM 1446 NE ARG A 92 -8.959 -13.508 11.059 1.00 3.27 N ATOM 1447 CZ ARG A 92 -10.120 -13.719 10.443 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -10.146 -14.011 9.147 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -11.252 -13.675 11.132 1.00 5.06 N ATOM 0 H ARG A 92 -5.542 -11.121 10.553 1.00 0.96 H new ATOM 0 HA ARG A 92 -4.441 -11.906 13.116 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -6.321 -13.216 13.292 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -6.911 -12.006 12.170 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -5.651 -14.141 10.683 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -6.800 -14.825 11.815 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -7.472 -12.508 9.980 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -7.710 -14.184 9.524 1.00 2.21 H new ATOM 0 HE ARG A 92 -8.972 -13.339 12.065 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -9.274 -14.074 8.621 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -11.038 -14.172 8.678 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -11.233 -13.480 12.133 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -12.142 -13.836 10.661 1.00 5.06 H new ATOM 1463 N ASP A 93 -3.591 -13.372 10.376 1.00 0.84 N ATOM 1464 CA ASP A 93 -2.883 -14.476 9.751 1.00 1.10 C ATOM 1465 C ASP A 93 -1.405 -14.181 9.538 1.00 1.31 C ATOM 1466 O ASP A 93 -0.754 -14.860 8.742 1.00 1.88 O ATOM 1467 CB ASP A 93 -3.538 -14.834 8.414 1.00 1.65 C ATOM 1468 CG ASP A 93 -4.468 -16.029 8.516 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -5.646 -15.853 8.890 1.00 3.12 O ATOM 1470 OD2 ASP A 93 -4.024 -17.154 8.210 1.00 2.58 O ATOM 0 H ASP A 93 -3.869 -12.630 9.733 1.00 0.84 H new ATOM 0 HA ASP A 93 -2.949 -15.322 10.436 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -4.098 -13.974 8.047 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -2.761 -15.046 7.679 1.00 1.65 H new ATOM 1475 N GLY A 94 -0.848 -13.195 10.237 1.00 1.11 N ATOM 1476 CA GLY A 94 0.580 -12.995 10.104 1.00 1.69 C ATOM 1477 C GLY A 94 0.981 -11.665 9.496 1.00 1.62 C ATOM 1478 O GLY A 94 1.475 -11.638 8.374 1.00 2.31 O ATOM 0 H GLY A 94 -1.336 -12.557 10.866 1.00 1.11 H new ATOM 0 HA2 GLY A 94 1.038 -13.081 11.089 1.00 1.69 H new ATOM 0 HA3 GLY A 94 0.990 -13.797 9.491 1.00 1.69 H new ATOM 1482 N VAL A 95 0.771 -10.559 10.205 1.00 0.85 N ATOM 1483 CA VAL A 95 1.064 -9.243 9.635 1.00 0.67 C ATOM 1484 C VAL A 95 2.560 -9.023 9.497 1.00 0.62 C ATOM 1485 O VAL A 95 3.287 -8.817 10.470 1.00 0.61 O ATOM 1486 CB VAL A 95 0.507 -8.084 10.488 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.837 -6.734 9.858 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -0.980 -8.224 10.687 1.00 1.06 C ATOM 0 H VAL A 95 0.406 -10.544 11.157 1.00 0.85 H new ATOM 0 HA VAL A 95 0.578 -9.239 8.659 1.00 0.67 H new ATOM 0 HB VAL A 95 0.987 -8.132 11.465 1.00 0.59 H new ATOM 0 HG11 VAL A 95 0.433 -5.934 10.479 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.919 -6.623 9.781 1.00 0.84 H new ATOM 0 HG13 VAL A 95 0.395 -6.679 8.863 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -1.346 -7.394 11.291 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -1.479 -8.215 9.718 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -1.192 -9.164 11.196 1.00 1.06 H new ATOM 1498 N ASN A 96 2.992 -9.111 8.267 1.00 0.76 N ATOM 1499 CA ASN A 96 4.346 -8.790 7.879 1.00 0.86 C ATOM 1500 C ASN A 96 4.315 -7.513 7.060 1.00 0.72 C ATOM 1501 O ASN A 96 3.273 -6.860 6.967 1.00 0.62 O ATOM 1502 CB ASN A 96 4.936 -9.938 7.056 1.00 1.17 C ATOM 1503 CG ASN A 96 4.014 -10.349 5.927 1.00 1.47 C ATOM 1504 OD1 ASN A 96 4.142 -9.881 4.800 1.00 2.12 O ATOM 1505 ND2 ASN A 96 3.056 -11.204 6.238 1.00 1.67 N ATOM 0 H ASN A 96 2.404 -9.413 7.490 1.00 0.76 H new ATOM 0 HA ASN A 96 4.970 -8.648 8.761 1.00 0.86 H new ATOM 0 HB2 ASN A 96 5.900 -9.635 6.647 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.120 -10.794 7.705 1.00 1.17 H new ATOM 0 HD21 ASN A 96 2.386 -11.500 5.528 1.00 1.67 H new ATOM 0 HD22 ASN A 96 2.986 -11.568 7.188 1.00 1.67 H new ATOM 1512 N TRP A 97 5.436 -7.168 6.459 1.00 0.77 N ATOM 1513 CA TRP A 97 5.522 -5.970 5.640 1.00 0.72 C ATOM 1514 C TRP A 97 4.585 -6.072 4.436 1.00 0.63 C ATOM 1515 O TRP A 97 3.980 -5.085 4.023 1.00 0.59 O ATOM 1516 CB TRP A 97 6.964 -5.758 5.173 1.00 0.86 C ATOM 1517 CG TRP A 97 7.942 -5.614 6.301 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.340 -4.453 6.898 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.647 -6.670 6.967 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.249 -4.723 7.894 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.452 -6.076 7.957 1.00 1.60 C ATOM 1522 CE3 TRP A 97 8.673 -8.060 6.823 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 10.273 -6.823 8.797 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 9.489 -8.801 7.658 1.00 3.24 C ATOM 1525 CH2 TRP A 97 10.278 -8.181 8.634 1.00 3.34 C ATOM 0 H TRP A 97 6.304 -7.700 6.521 1.00 0.77 H new ATOM 0 HA TRP A 97 5.215 -5.115 6.242 1.00 0.72 H new ATOM 0 HB2 TRP A 97 7.263 -6.600 4.548 1.00 0.86 H new ATOM 0 HB3 TRP A 97 7.008 -4.866 4.548 1.00 0.86 H new ATOM 0 HD1 TRP A 97 7.992 -3.467 6.628 1.00 0.83 H new ATOM 0 HE1 TRP A 97 9.699 -4.028 8.490 1.00 0.99 H new ATOM 0 HE3 TRP A 97 8.067 -8.547 6.073 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 10.884 -6.348 9.550 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 9.518 -9.876 7.555 1.00 3.24 H new ATOM 0 HH2 TRP A 97 10.904 -8.788 9.272 1.00 3.34 H new ATOM 1536 N GLY A 98 4.444 -7.283 3.909 1.00 0.69 N ATOM 1537 CA GLY A 98 3.648 -7.503 2.717 1.00 0.69 C ATOM 1538 C GLY A 98 2.150 -7.420 2.959 1.00 0.62 C ATOM 1539 O GLY A 98 1.416 -6.892 2.125 1.00 0.61 O ATOM 0 H GLY A 98 4.873 -8.125 4.292 1.00 0.69 H new ATOM 0 HA2 GLY A 98 3.927 -6.766 1.964 1.00 0.69 H new ATOM 0 HA3 GLY A 98 3.887 -8.484 2.307 1.00 0.69 H new ATOM 1543 N ARG A 99 1.693 -7.934 4.098 1.00 0.65 N ATOM 1544 CA ARG A 99 0.260 -7.941 4.428 1.00 0.67 C ATOM 1545 C ARG A 99 -0.341 -6.545 4.341 1.00 0.53 C ATOM 1546 O ARG A 99 -1.508 -6.374 3.994 1.00 0.55 O ATOM 1547 CB ARG A 99 0.031 -8.491 5.837 1.00 0.82 C ATOM 1548 CG ARG A 99 0.163 -9.997 5.942 1.00 1.04 C ATOM 1549 CD ARG A 99 -0.948 -10.713 5.195 1.00 1.50 C ATOM 1550 NE ARG A 99 -0.836 -12.163 5.321 1.00 2.48 N ATOM 1551 CZ ARG A 99 -1.874 -12.981 5.471 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -3.111 -12.497 5.460 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -1.671 -14.286 5.617 1.00 4.24 N ATOM 0 H ARG A 99 2.290 -8.352 4.812 1.00 0.65 H new ATOM 0 HA ARG A 99 -0.231 -8.583 3.697 1.00 0.67 H new ATOM 0 HB2 ARG A 99 0.745 -8.026 6.517 1.00 0.82 H new ATOM 0 HB3 ARG A 99 -0.965 -8.200 6.172 1.00 0.82 H new ATOM 0 HG2 ARG A 99 1.128 -10.306 5.541 1.00 1.04 H new ATOM 0 HG3 ARG A 99 0.144 -10.291 6.991 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -1.914 -10.388 5.581 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -0.916 -10.436 4.141 1.00 1.50 H new ATOM 0 HE ARG A 99 0.097 -12.575 5.292 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -3.266 -11.496 5.336 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -3.906 -13.126 5.575 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -0.721 -14.658 5.614 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -2.465 -14.916 5.732 1.00 4.24 H new ATOM 1567 N ILE A 100 0.467 -5.550 4.642 1.00 0.44 N ATOM 1568 CA ILE A 100 -0.008 -4.185 4.711 1.00 0.36 C ATOM 1569 C ILE A 100 -0.051 -3.533 3.331 1.00 0.33 C ATOM 1570 O ILE A 100 -0.945 -2.734 3.044 1.00 0.34 O ATOM 1571 CB ILE A 100 0.856 -3.385 5.694 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.730 -4.035 7.072 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.427 -1.929 5.731 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.594 -3.416 8.136 1.00 0.34 C ATOM 0 H ILE A 100 1.461 -5.663 4.844 1.00 0.44 H new ATOM 0 HA ILE A 100 -1.034 -4.191 5.080 1.00 0.36 H new ATOM 0 HB ILE A 100 1.898 -3.399 5.374 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.311 -3.982 7.391 1.00 0.33 H new ATOM 0 HG13 ILE A 100 0.983 -5.092 6.986 1.00 0.33 H new ATOM 0 HG21 ILE A 100 1.054 -1.383 6.435 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.532 -1.493 4.737 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.614 -1.864 6.047 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.440 -3.940 9.080 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.641 -3.493 7.845 1.00 0.34 H new ATOM 0 HD13 ILE A 100 1.327 -2.366 8.256 1.00 0.34 H new ATOM 1586 N VAL A 101 0.891 -3.890 2.465 1.00 0.33 N ATOM 1587 CA VAL A 101 0.819 -3.460 1.070 1.00 0.35 C ATOM 1588 C VAL A 101 -0.384 -4.132 0.392 1.00 0.37 C ATOM 1589 O VAL A 101 -0.951 -3.608 -0.560 1.00 0.45 O ATOM 1590 CB VAL A 101 2.128 -3.730 0.268 1.00 0.46 C ATOM 1591 CG1 VAL A 101 3.194 -4.342 1.148 1.00 1.35 C ATOM 1592 CG2 VAL A 101 1.874 -4.576 -0.973 1.00 1.32 C ATOM 0 H VAL A 101 1.701 -4.466 2.696 1.00 0.33 H new ATOM 0 HA VAL A 101 0.693 -2.377 1.072 1.00 0.35 H new ATOM 0 HB VAL A 101 2.498 -2.765 -0.078 1.00 0.46 H new ATOM 0 HG11 VAL A 101 4.094 -4.518 0.560 1.00 1.35 H new ATOM 0 HG12 VAL A 101 3.424 -3.662 1.968 1.00 1.35 H new ATOM 0 HG13 VAL A 101 2.833 -5.288 1.552 1.00 1.35 H new ATOM 0 HG21 VAL A 101 2.814 -4.739 -1.501 1.00 1.32 H new ATOM 0 HG22 VAL A 101 1.452 -5.537 -0.678 1.00 1.32 H new ATOM 0 HG23 VAL A 101 1.174 -4.058 -1.629 1.00 1.32 H new ATOM 1602 N ALA A 102 -0.786 -5.288 0.904 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.012 -5.926 0.442 1.00 0.39 C ATOM 1604 C ALA A 102 -3.211 -5.104 0.875 1.00 0.35 C ATOM 1605 O ALA A 102 -4.057 -4.729 0.059 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.127 -7.336 0.991 1.00 0.44 C ATOM 0 H ALA A 102 -0.287 -5.799 1.632 1.00 0.37 H new ATOM 0 HA ALA A 102 -1.984 -5.983 -0.646 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -3.050 -7.792 0.633 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.276 -7.928 0.655 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.138 -7.302 2.080 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.238 -4.810 2.166 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.300 -4.035 2.786 1.00 0.34 C ATOM 1614 C PHE A 103 -4.590 -2.749 2.018 1.00 0.31 C ATOM 1615 O PHE A 103 -5.727 -2.508 1.606 1.00 0.32 O ATOM 1616 CB PHE A 103 -3.901 -3.719 4.232 1.00 0.36 C ATOM 1617 CG PHE A 103 -4.757 -2.688 4.904 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.033 -3.009 5.341 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.293 -1.399 5.094 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -6.826 -2.065 5.956 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -5.085 -0.450 5.710 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.330 -0.776 6.155 1.00 1.49 C ATOM 0 H PHE A 103 -2.514 -5.107 2.820 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.216 -4.625 2.771 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -3.938 -4.639 4.815 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -2.866 -3.377 4.243 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.410 -4.011 5.198 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.302 -1.132 4.758 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -7.824 -2.321 6.281 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -4.715 0.556 5.840 1.00 1.48 H new ATOM 0 HZ PHE A 103 -6.933 -0.037 6.662 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.563 -1.938 1.796 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.770 -0.623 1.211 1.00 0.40 C ATOM 1634 C PHE A 104 -4.099 -0.720 -0.286 1.00 0.39 C ATOM 1635 O PHE A 104 -4.672 0.206 -0.862 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.559 0.292 1.482 1.00 0.56 C ATOM 1637 CG PHE A 104 -1.519 0.336 0.398 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -0.882 -0.809 -0.029 1.00 1.47 C ATOM 1639 CD2 PHE A 104 -1.174 1.541 -0.183 1.00 1.79 C ATOM 1640 CE1 PHE A 104 0.077 -0.759 -1.022 1.00 2.61 C ATOM 1641 CE2 PHE A 104 -0.216 1.599 -1.174 1.00 2.90 C ATOM 1642 CZ PHE A 104 0.407 0.447 -1.594 1.00 3.29 C ATOM 0 H PHE A 104 -2.592 -2.165 2.009 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.636 -0.169 1.692 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -2.923 1.305 1.652 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.081 -0.034 2.406 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -1.136 -1.758 0.419 1.00 1.47 H new ATOM 0 HD2 PHE A 104 -1.660 2.449 0.143 1.00 1.79 H new ATOM 0 HE1 PHE A 104 0.566 -1.665 -1.348 1.00 2.61 H new ATOM 0 HE2 PHE A 104 0.044 2.548 -1.619 1.00 2.90 H new ATOM 0 HZ PHE A 104 1.155 0.490 -2.372 1.00 3.29 H new ATOM 1652 N SER A 105 -3.772 -1.855 -0.901 1.00 0.37 N ATOM 1653 CA SER A 105 -4.083 -2.074 -2.309 1.00 0.44 C ATOM 1654 C SER A 105 -5.559 -2.418 -2.487 1.00 0.40 C ATOM 1655 O SER A 105 -6.245 -1.819 -3.316 1.00 0.45 O ATOM 1656 CB SER A 105 -3.206 -3.182 -2.894 1.00 0.50 C ATOM 1657 OG SER A 105 -1.839 -2.809 -2.874 1.00 1.19 O ATOM 0 H SER A 105 -3.294 -2.633 -0.447 1.00 0.37 H new ATOM 0 HA SER A 105 -3.874 -1.150 -2.848 1.00 0.44 H new ATOM 0 HB2 SER A 105 -3.345 -4.100 -2.324 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.515 -3.393 -3.918 1.00 0.50 H new ATOM 0 HG SER A 105 -1.538 -2.718 -1.946 1.00 1.19 H new ATOM 1663 N PHE A 106 -6.047 -3.370 -1.695 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.452 -3.754 -1.742 1.00 0.37 C ATOM 1665 C PHE A 106 -8.328 -2.566 -1.400 1.00 0.31 C ATOM 1666 O PHE A 106 -9.373 -2.371 -2.002 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.762 -4.895 -0.772 1.00 0.46 C ATOM 1668 CG PHE A 106 -6.906 -6.113 -0.943 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -6.642 -6.610 -2.209 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -6.357 -6.755 0.154 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -5.851 -7.726 -2.379 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -5.564 -7.872 -0.010 1.00 2.53 C ATOM 1673 CZ PHE A 106 -5.335 -8.379 -1.239 1.00 2.89 C ATOM 0 H PHE A 106 -5.490 -3.888 -1.015 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.660 -4.097 -2.756 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -7.648 -4.528 0.248 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -8.807 -5.182 -0.892 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -7.061 -6.117 -3.074 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -6.551 -6.378 1.147 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -5.629 -8.095 -3.369 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -5.122 -8.345 0.854 1.00 2.53 H new ATOM 0 HZ PHE A 106 -4.757 -9.284 -1.351 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.892 -1.775 -0.427 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.623 -0.581 -0.056 1.00 0.28 C ATOM 1685 C GLY A 107 -8.625 0.447 -1.163 1.00 0.24 C ATOM 1686 O GLY A 107 -9.630 1.117 -1.400 1.00 0.27 O ATOM 0 H GLY A 107 -7.042 -1.941 0.112 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.650 -0.847 0.193 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -8.179 -0.148 0.840 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.494 0.573 -1.842 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.415 1.456 -2.981 1.00 0.22 C ATOM 1692 C GLY A 108 -8.336 1.004 -4.094 1.00 0.22 C ATOM 1693 O GLY A 108 -8.992 1.815 -4.745 1.00 0.23 O ATOM 0 H GLY A 108 -6.630 0.078 -1.622 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.679 2.469 -2.677 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.389 1.490 -3.347 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.381 -0.301 -4.310 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.263 -0.883 -5.310 1.00 0.26 C ATOM 1699 C ALA A 109 -10.713 -0.821 -4.852 1.00 0.27 C ATOM 1700 O ALA A 109 -11.622 -0.664 -5.663 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.859 -2.317 -5.592 1.00 0.29 C ATOM 0 H ALA A 109 -7.814 -0.981 -3.803 1.00 0.24 H new ATOM 0 HA ALA A 109 -9.171 -0.304 -6.229 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.526 -2.742 -6.342 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.834 -2.340 -5.963 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.926 -2.901 -4.674 1.00 0.29 H new ATOM 1707 N LEU A 110 -10.906 -0.920 -3.541 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.231 -0.869 -2.926 1.00 0.28 C ATOM 1709 C LEU A 110 -12.881 0.446 -3.301 1.00 0.24 C ATOM 1710 O LEU A 110 -14.080 0.523 -3.583 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.094 -0.963 -1.403 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.081 -1.894 -0.681 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.511 -1.399 -0.802 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -12.961 -3.316 -1.212 1.00 1.12 C ATOM 0 H LEU A 110 -10.146 -1.038 -2.871 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.841 -1.701 -3.277 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.082 -1.294 -1.171 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.205 0.039 -0.988 1.00 0.32 H new ATOM 0 HG LEU A 110 -12.821 -1.892 0.377 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.179 -2.084 -0.279 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.591 -0.406 -0.360 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -14.792 -1.352 -1.854 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -13.667 -3.961 -0.689 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.182 -3.326 -2.279 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -11.947 -3.681 -1.049 1.00 1.12 H new ATOM 1726 N CYS A 111 -12.047 1.475 -3.289 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.416 2.794 -3.747 1.00 0.19 C ATOM 1728 C CYS A 111 -13.031 2.716 -5.133 1.00 0.20 C ATOM 1729 O CYS A 111 -14.218 2.981 -5.299 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.169 3.673 -3.754 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.405 5.322 -4.417 1.00 0.22 S ATOM 0 H CYS A 111 -11.085 1.410 -2.956 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.160 3.227 -3.078 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.798 3.758 -2.733 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.394 3.172 -4.334 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.567 6.141 -3.853 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.237 2.289 -6.112 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.678 2.264 -7.502 1.00 0.22 C ATOM 1739 C VAL A 112 -13.873 1.347 -7.699 1.00 0.22 C ATOM 1740 O VAL A 112 -14.763 1.665 -8.481 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.565 1.815 -8.466 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -12.069 1.905 -9.896 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.313 2.651 -8.292 1.00 0.27 C ATOM 0 H VAL A 112 -11.284 1.955 -5.967 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.957 3.292 -7.733 1.00 0.22 H new ATOM 0 HB VAL A 112 -11.303 0.782 -8.237 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -11.282 1.587 -10.580 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.938 1.258 -10.017 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.350 2.934 -10.119 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.547 2.308 -8.987 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.543 3.697 -8.493 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.947 2.550 -7.270 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.904 0.226 -6.994 1.00 0.23 N ATOM 1754 CA GLU A 113 -15.023 -0.699 -7.108 1.00 0.28 C ATOM 1755 C GLU A 113 -16.324 -0.020 -6.707 1.00 0.23 C ATOM 1756 O GLU A 113 -17.408 -0.420 -7.133 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.785 -1.950 -6.284 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.645 -2.790 -6.827 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.418 -2.586 -8.319 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -14.247 -3.063 -9.127 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -12.403 -1.955 -8.691 1.00 2.51 O ATOM 0 H GLU A 113 -13.175 -0.064 -6.342 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.106 -1.002 -8.152 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.566 -1.668 -5.254 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.696 -2.548 -6.264 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -12.730 -2.544 -6.288 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -13.853 -3.843 -6.637 1.00 0.53 H new ATOM 1768 N SER A 114 -16.203 1.046 -5.934 1.00 0.18 N ATOM 1769 CA SER A 114 -17.348 1.799 -5.494 1.00 0.19 C ATOM 1770 C SER A 114 -17.714 2.772 -6.584 1.00 0.22 C ATOM 1771 O SER A 114 -18.872 2.910 -6.959 1.00 0.28 O ATOM 1772 CB SER A 114 -17.012 2.537 -4.201 1.00 0.18 C ATOM 1773 OG SER A 114 -16.709 1.621 -3.164 1.00 0.20 O ATOM 0 H SER A 114 -15.309 1.406 -5.599 1.00 0.18 H new ATOM 0 HA SER A 114 -18.191 1.137 -5.295 1.00 0.19 H new ATOM 0 HB2 SER A 114 -16.163 3.201 -4.366 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.854 3.163 -3.905 1.00 0.18 H new ATOM 0 HG SER A 114 -15.821 1.235 -3.318 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.691 3.386 -7.143 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.864 4.383 -8.159 1.00 0.27 C ATOM 1781 C VAL A 115 -17.381 3.729 -9.429 1.00 0.28 C ATOM 1782 O VAL A 115 -18.085 4.336 -10.236 1.00 0.31 O ATOM 1783 CB VAL A 115 -15.545 5.124 -8.418 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -14.522 4.853 -7.373 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -15.024 4.898 -9.796 1.00 1.10 C ATOM 0 H VAL A 115 -15.718 3.202 -6.899 1.00 0.21 H new ATOM 0 HA VAL A 115 -17.595 5.118 -7.821 1.00 0.27 H new ATOM 0 HB VAL A 115 -15.777 6.187 -8.349 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -13.610 5.402 -7.606 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -14.900 5.173 -6.402 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -14.305 3.785 -7.344 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -14.090 5.445 -9.926 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -14.846 3.833 -9.948 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -15.755 5.251 -10.524 1.00 1.10 H new ATOM 1795 N ASP A 116 -17.003 2.477 -9.559 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.455 1.591 -10.618 1.00 0.34 C ATOM 1797 C ASP A 116 -18.973 1.585 -10.710 1.00 0.35 C ATOM 1798 O ASP A 116 -19.547 1.801 -11.776 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.963 0.185 -10.299 1.00 0.37 C ATOM 1800 CG ASP A 116 -17.231 -0.805 -11.413 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -16.589 -0.699 -12.475 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -18.100 -1.686 -11.237 1.00 0.60 O ATOM 0 H ASP A 116 -16.353 2.030 -8.913 1.00 0.28 H new ATOM 0 HA ASP A 116 -17.059 1.936 -11.573 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.892 0.218 -10.100 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.446 -0.164 -9.387 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.614 1.367 -9.569 1.00 0.32 N ATOM 1808 CA LYS A 117 -21.066 1.348 -9.491 1.00 0.35 C ATOM 1809 C LYS A 117 -21.606 2.767 -9.327 1.00 0.34 C ATOM 1810 O LYS A 117 -22.771 2.959 -8.974 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.519 0.496 -8.303 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.560 -0.623 -7.924 1.00 0.36 C ATOM 1813 CD LYS A 117 -20.356 -1.607 -9.055 1.00 0.45 C ATOM 1814 CE LYS A 117 -19.663 -2.868 -8.572 1.00 0.61 C ATOM 1815 NZ LYS A 117 -20.530 -3.658 -7.657 1.00 1.62 N ATOM 0 H LYS A 117 -19.145 1.200 -8.679 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.454 0.919 -10.415 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.658 1.146 -7.439 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.491 0.061 -8.535 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.599 -0.195 -7.639 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.946 -1.150 -7.051 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -21.320 -1.865 -9.494 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.762 -1.142 -9.842 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -19.385 -3.481 -9.429 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -18.740 -2.601 -8.058 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -20.169 -4.631 -7.590 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -20.527 -3.222 -6.713 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -21.502 -3.674 -8.027 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.736 3.748 -9.573 1.00 0.31 N ATOM 1830 CA GLU A 118 -21.070 5.166 -9.441 1.00 0.33 C ATOM 1831 C GLU A 118 -21.363 5.498 -7.984 1.00 0.31 C ATOM 1832 O GLU A 118 -22.324 6.192 -7.655 1.00 0.38 O ATOM 1833 CB GLU A 118 -22.254 5.533 -10.339 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.998 5.252 -11.809 1.00 0.49 C ATOM 1835 CD GLU A 118 -23.164 5.645 -12.687 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -24.177 4.916 -12.699 1.00 1.88 O ATOM 1837 OE2 GLU A 118 -23.075 6.687 -13.367 1.00 1.07 O ATOM 0 H GLU A 118 -19.775 3.580 -9.871 1.00 0.31 H new ATOM 0 HA GLU A 118 -20.215 5.759 -9.765 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -23.133 4.975 -10.017 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -22.484 6.591 -10.212 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -21.108 5.794 -12.129 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.790 4.190 -11.941 1.00 0.49 H new ATOM 1844 N MET A 119 -20.488 5.010 -7.123 1.00 0.26 N ATOM 1845 CA MET A 119 -20.617 5.193 -5.686 1.00 0.26 C ATOM 1846 C MET A 119 -19.320 5.781 -5.174 1.00 0.25 C ATOM 1847 O MET A 119 -18.828 5.425 -4.108 1.00 0.23 O ATOM 1848 CB MET A 119 -20.893 3.857 -4.988 1.00 0.25 C ATOM 1849 CG MET A 119 -22.062 3.075 -5.565 1.00 0.28 C ATOM 1850 SD MET A 119 -22.243 1.452 -4.802 1.00 0.31 S ATOM 1851 CE MET A 119 -20.561 0.841 -4.917 1.00 0.29 C ATOM 0 H MET A 119 -19.665 4.474 -7.400 1.00 0.26 H new ATOM 0 HA MET A 119 -21.454 5.859 -5.474 1.00 0.26 H new ATOM 0 HB2 MET A 119 -19.996 3.240 -5.044 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.084 4.046 -3.932 1.00 0.25 H new ATOM 0 HG2 MET A 119 -22.981 3.644 -5.425 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.921 2.955 -6.639 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.568 -0.249 -4.898 1.00 0.29 H new ATOM 0 HE2 MET A 119 -20.112 1.185 -5.848 1.00 0.29 H new ATOM 0 HE3 MET A 119 -19.980 1.215 -4.074 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.762 6.676 -5.975 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.511 7.346 -5.674 1.00 0.31 C ATOM 1863 C GLN A 120 -17.520 8.055 -4.304 1.00 0.32 C ATOM 1864 O GLN A 120 -16.495 8.548 -3.853 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.210 8.335 -6.787 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.460 7.739 -8.155 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.796 8.120 -8.747 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -19.768 8.363 -8.034 1.00 1.15 O ATOM 1869 NE2 GLN A 120 -18.855 8.134 -10.058 1.00 0.55 N ATOM 0 H GLN A 120 -19.173 6.960 -6.864 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.729 6.589 -5.613 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -17.828 9.224 -6.660 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.171 8.657 -6.716 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.668 8.059 -8.832 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.400 6.653 -8.085 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -18.022 7.926 -10.608 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -19.734 8.353 -10.527 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.677 8.119 -3.649 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.759 8.656 -2.290 1.00 0.35 C ATOM 1880 C VAL A 121 -17.970 7.795 -1.298 1.00 0.31 C ATOM 1881 O VAL A 121 -17.486 8.293 -0.280 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.218 8.770 -1.798 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -20.963 9.856 -2.555 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -20.936 7.438 -1.936 1.00 0.38 C ATOM 0 H VAL A 121 -19.568 7.807 -4.034 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.322 9.654 -2.334 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.197 9.044 -0.743 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -21.988 9.916 -2.190 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.466 10.814 -2.400 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -20.970 9.618 -3.619 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -21.963 7.540 -1.584 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -20.940 7.133 -2.983 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.421 6.684 -1.341 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.834 6.504 -1.602 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.073 5.586 -0.753 1.00 0.21 C ATOM 1896 C LEU A 122 -15.598 5.900 -0.835 1.00 0.19 C ATOM 1897 O LEU A 122 -14.849 5.610 0.085 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.280 4.124 -1.163 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.612 3.489 -0.772 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -18.916 3.759 0.687 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.735 3.982 -1.666 1.00 0.22 C ATOM 0 H LEU A 122 -18.241 6.070 -2.430 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.436 5.720 0.266 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.174 4.055 -2.246 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.477 3.530 -0.726 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.532 2.411 -0.911 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -19.869 3.300 0.951 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.126 3.337 1.308 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -18.973 4.835 0.854 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.672 3.513 -1.365 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.825 5.064 -1.574 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.516 3.723 -2.702 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.203 6.494 -1.944 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.813 6.840 -2.202 1.00 0.20 C ATOM 1915 C VAL A 123 -13.172 7.547 -1.007 1.00 0.22 C ATOM 1916 O VAL A 123 -12.115 7.135 -0.526 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.736 7.719 -3.463 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.357 8.319 -3.650 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.135 6.889 -4.674 1.00 0.23 C ATOM 0 H VAL A 123 -15.839 6.753 -2.698 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.251 5.920 -2.363 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.428 8.553 -3.347 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.346 8.932 -4.551 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -12.109 8.938 -2.787 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.622 7.520 -3.746 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -14.083 7.506 -5.571 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.455 6.043 -4.775 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.153 6.523 -4.545 1.00 0.23 H new ATOM 1929 N SER A 124 -13.826 8.584 -0.514 1.00 0.24 N ATOM 1930 CA SER A 124 -13.306 9.335 0.620 1.00 0.28 C ATOM 1931 C SER A 124 -13.510 8.557 1.919 1.00 0.27 C ATOM 1932 O SER A 124 -12.705 8.655 2.849 1.00 0.33 O ATOM 1933 CB SER A 124 -14.002 10.695 0.707 1.00 0.36 C ATOM 1934 OG SER A 124 -13.371 11.549 1.648 1.00 1.35 O ATOM 0 H SER A 124 -14.715 8.926 -0.878 1.00 0.24 H new ATOM 0 HA SER A 124 -12.237 9.489 0.475 1.00 0.28 H new ATOM 0 HB2 SER A 124 -13.998 11.169 -0.274 1.00 0.36 H new ATOM 0 HB3 SER A 124 -15.046 10.552 0.988 1.00 0.36 H new ATOM 0 HG SER A 124 -13.956 11.668 2.425 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.582 7.775 1.972 1.00 0.23 N ATOM 1941 CA ARG A 125 -14.894 6.996 3.160 1.00 0.23 C ATOM 1942 C ARG A 125 -13.843 5.926 3.382 1.00 0.21 C ATOM 1943 O ARG A 125 -13.234 5.853 4.437 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.261 6.324 3.035 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.411 7.287 2.833 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.734 6.638 3.196 1.00 0.55 C ATOM 1947 NE ARG A 125 -18.773 6.214 4.594 1.00 1.44 N ATOM 1948 CZ ARG A 125 -19.730 5.448 5.116 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -20.742 5.034 4.361 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -19.683 5.113 6.399 1.00 2.67 N ATOM 0 H ARG A 125 -15.247 7.665 1.207 1.00 0.23 H new ATOM 0 HA ARG A 125 -14.909 7.682 4.007 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.235 5.626 2.198 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.448 5.736 3.934 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.258 8.176 3.445 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.436 7.616 1.794 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -19.546 7.341 3.008 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -18.903 5.776 2.551 1.00 0.55 H new ATOM 0 HE ARG A 125 -18.020 6.524 5.209 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.788 5.303 3.378 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -21.473 4.448 4.764 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -18.915 5.442 6.984 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -20.415 4.527 6.800 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.637 5.109 2.365 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.729 3.976 2.444 1.00 0.19 C ATOM 1966 C ILE A 126 -11.344 4.394 2.911 1.00 0.20 C ATOM 1967 O ILE A 126 -10.752 3.722 3.742 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.632 3.268 1.084 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.020 2.757 0.689 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.627 2.127 1.142 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.097 2.173 -0.698 1.00 0.18 C ATOM 0 H ILE A 126 -14.095 5.211 1.459 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.137 3.284 3.181 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.282 3.973 0.330 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.333 1.999 1.407 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.731 3.579 0.764 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.574 1.639 0.169 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.645 2.520 1.405 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -11.941 1.403 1.894 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.115 1.836 -0.895 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.818 2.932 -1.429 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.414 1.327 -0.775 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.836 5.505 2.393 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.527 5.998 2.812 1.00 0.24 C ATOM 1985 C ALA A 127 -9.512 6.298 4.307 1.00 0.24 C ATOM 1986 O ALA A 127 -8.503 6.087 4.980 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.139 7.231 2.026 1.00 0.27 C ATOM 0 H ALA A 127 -11.303 6.077 1.690 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.796 5.215 2.610 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.160 7.580 2.356 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.099 6.988 0.964 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -9.878 8.015 2.191 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.642 6.774 4.814 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.801 7.032 6.241 1.00 0.22 C ATOM 1995 C ALA A 128 -10.704 5.734 7.011 1.00 0.23 C ATOM 1996 O ALA A 128 -9.834 5.552 7.863 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.153 7.663 6.517 1.00 0.23 C ATOM 0 H ALA A 128 -11.467 6.991 4.255 1.00 0.21 H new ATOM 0 HA ALA A 128 -10.011 7.713 6.557 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.256 7.849 7.586 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.232 8.605 5.975 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.943 6.988 6.188 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.616 4.833 6.676 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.692 3.522 7.292 1.00 0.35 C ATOM 2005 C TRP A 129 -10.345 2.807 7.193 1.00 0.25 C ATOM 2006 O TRP A 129 -9.847 2.263 8.175 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.777 2.692 6.601 1.00 0.56 C ATOM 2008 CG TRP A 129 -14.177 3.216 6.764 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.831 4.071 5.926 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -15.102 2.901 7.811 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -16.097 4.325 6.390 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -16.290 3.614 7.548 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -15.043 2.090 8.948 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -17.403 3.537 8.381 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -16.149 2.016 9.773 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -17.315 2.735 9.485 1.00 3.91 C ATOM 0 H TRP A 129 -12.328 4.995 5.964 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.944 3.641 8.346 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.548 2.635 5.537 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.738 1.675 6.990 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.411 4.490 5.023 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.781 4.940 5.948 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -14.148 1.531 9.178 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -18.304 4.091 8.163 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -16.113 1.393 10.655 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -18.163 2.655 10.149 1.00 3.91 H new ATOM 2027 N MET A 130 -9.753 2.850 6.002 1.00 0.24 N ATOM 2028 CA MET A 130 -8.485 2.181 5.728 1.00 0.26 C ATOM 2029 C MET A 130 -7.373 2.675 6.633 1.00 0.25 C ATOM 2030 O MET A 130 -6.783 1.896 7.382 1.00 0.29 O ATOM 2031 CB MET A 130 -8.091 2.391 4.276 1.00 0.31 C ATOM 2032 CG MET A 130 -8.680 1.354 3.348 1.00 0.29 C ATOM 2033 SD MET A 130 -7.426 0.224 2.739 1.00 1.08 S ATOM 2034 CE MET A 130 -6.409 1.381 1.838 1.00 0.31 C ATOM 0 H MET A 130 -10.139 3.349 5.201 1.00 0.24 H new ATOM 0 HA MET A 130 -8.628 1.119 5.925 1.00 0.26 H new ATOM 0 HB2 MET A 130 -8.415 3.382 3.957 1.00 0.31 H new ATOM 0 HB3 MET A 130 -7.004 2.369 4.193 1.00 0.31 H new ATOM 0 HG2 MET A 130 -9.453 0.792 3.873 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.163 1.850 2.506 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.180 0.974 0.853 1.00 0.31 H new ATOM 0 HE2 MET A 130 -6.943 2.324 1.726 1.00 0.31 H new ATOM 0 HE3 MET A 130 -5.481 1.552 2.384 1.00 0.31 H new ATOM 2044 N ALA A 131 -7.091 3.968 6.573 1.00 0.24 N ATOM 2045 CA ALA A 131 -6.013 4.527 7.363 1.00 0.24 C ATOM 2046 C ALA A 131 -6.267 4.297 8.843 1.00 0.24 C ATOM 2047 O ALA A 131 -5.338 4.030 9.597 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.829 6.004 7.063 1.00 0.25 C ATOM 0 H ALA A 131 -7.590 4.641 5.991 1.00 0.24 H new ATOM 0 HA ALA A 131 -5.088 4.017 7.092 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -5.014 6.400 7.669 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.592 6.134 6.007 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.749 6.540 7.297 1.00 0.25 H new ATOM 2054 N THR A 132 -7.529 4.366 9.247 1.00 0.26 N ATOM 2055 CA THR A 132 -7.900 4.097 10.625 1.00 0.29 C ATOM 2056 C THR A 132 -7.616 2.647 11.010 1.00 0.30 C ATOM 2057 O THR A 132 -7.023 2.383 12.054 1.00 0.32 O ATOM 2058 CB THR A 132 -9.383 4.394 10.883 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.618 5.807 10.812 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.791 3.854 12.246 1.00 0.40 C ATOM 0 H THR A 132 -8.311 4.606 8.638 1.00 0.26 H new ATOM 0 HA THR A 132 -7.290 4.760 11.239 1.00 0.29 H new ATOM 0 HB THR A 132 -9.985 3.902 10.119 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.725 6.074 9.875 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.845 4.069 12.422 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.631 2.776 12.273 1.00 0.40 H new ATOM 0 HG23 THR A 132 -9.190 4.330 13.021 1.00 0.40 H new ATOM 2068 N TYR A 133 -8.057 1.706 10.185 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.815 0.294 10.450 1.00 0.32 C ATOM 2070 C TYR A 133 -6.321 0.024 10.557 1.00 0.32 C ATOM 2071 O TYR A 133 -5.885 -0.788 11.372 1.00 0.37 O ATOM 2072 CB TYR A 133 -8.450 -0.578 9.371 1.00 0.33 C ATOM 2073 CG TYR A 133 -9.939 -0.768 9.551 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -10.459 -1.163 10.776 1.00 1.29 C ATOM 2075 CD2 TYR A 133 -10.826 -0.540 8.506 1.00 1.72 C ATOM 2076 CE1 TYR A 133 -11.816 -1.327 10.955 1.00 1.93 C ATOM 2077 CE2 TYR A 133 -12.189 -0.698 8.679 1.00 2.40 C ATOM 2078 CZ TYR A 133 -12.677 -1.092 9.906 1.00 2.40 C ATOM 2079 OH TYR A 133 -14.032 -1.238 10.093 1.00 3.13 O ATOM 0 H TYR A 133 -8.582 1.894 9.331 1.00 0.30 H new ATOM 0 HA TYR A 133 -8.279 0.038 11.402 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -8.264 -0.129 8.395 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.964 -1.554 9.371 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -9.789 -1.345 11.603 1.00 1.29 H new ATOM 0 HD2 TYR A 133 -10.445 -0.234 7.543 1.00 1.72 H new ATOM 0 HE1 TYR A 133 -12.202 -1.639 11.914 1.00 1.93 H new ATOM 0 HE2 TYR A 133 -12.866 -0.514 7.858 1.00 2.40 H new ATOM 0 HH TYR A 133 -14.489 -0.412 9.830 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.537 0.720 9.745 1.00 0.29 N ATOM 2090 CA LEU A 134 -4.092 0.678 9.877 1.00 0.30 C ATOM 2091 C LEU A 134 -3.697 1.291 11.222 1.00 0.32 C ATOM 2092 O LEU A 134 -2.966 0.681 11.993 1.00 0.35 O ATOM 2093 CB LEU A 134 -3.422 1.426 8.714 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.939 1.095 8.485 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -1.466 1.632 7.147 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -1.076 1.659 9.599 1.00 0.88 C ATOM 0 H LEU A 134 -5.878 1.317 8.992 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.752 -0.357 9.842 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.971 1.206 7.799 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.514 2.497 8.892 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.841 0.009 8.484 1.00 0.48 H new ATOM 0 HD11 LEU A 134 -0.413 1.385 7.008 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -2.053 1.182 6.346 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.591 2.715 7.125 1.00 0.95 H new ATOM 0 HD21 LEU A 134 -0.031 1.410 9.412 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -1.190 2.742 9.635 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -1.386 1.230 10.552 1.00 0.88 H new ATOM 2108 N ASN A 135 -4.209 2.488 11.491 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.960 3.201 12.749 1.00 0.35 C ATOM 2110 C ASN A 135 -4.185 2.309 13.967 1.00 0.38 C ATOM 2111 O ASN A 135 -3.341 2.235 14.858 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.887 4.421 12.858 1.00 0.36 C ATOM 2113 CG ASN A 135 -4.260 5.718 12.386 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.718 6.482 13.178 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -4.327 5.974 11.095 1.00 0.34 N ATOM 0 H ASN A 135 -4.811 2.996 10.843 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.916 3.514 12.736 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.788 4.232 12.275 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -5.197 4.537 13.896 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.920 6.832 10.723 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.786 5.314 10.467 1.00 0.34 H new ATOM 2122 N ASP A 136 -5.326 1.636 13.998 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.716 0.853 15.160 1.00 0.42 C ATOM 2124 C ASP A 136 -5.020 -0.505 15.191 1.00 0.40 C ATOM 2125 O ASP A 136 -4.423 -0.883 16.199 1.00 0.43 O ATOM 2126 CB ASP A 136 -7.235 0.665 15.166 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.702 -0.257 16.272 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.789 0.197 17.431 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.992 -1.437 15.983 1.00 0.58 O ATOM 0 H ASP A 136 -5.998 1.617 13.231 1.00 0.38 H new ATOM 0 HA ASP A 136 -5.407 1.399 16.052 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.717 1.636 15.279 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.552 0.262 14.204 1.00 0.45 H new ATOM 2134 N HIS A 137 -5.090 -1.222 14.081 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.644 -2.611 14.027 1.00 0.38 C ATOM 2136 C HIS A 137 -3.177 -2.753 13.631 1.00 0.35 C ATOM 2137 O HIS A 137 -2.397 -3.413 14.316 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.503 -3.368 13.016 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.739 -3.979 13.598 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -6.738 -5.170 14.293 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -8.027 -3.564 13.573 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -7.970 -5.461 14.665 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -8.770 -4.503 14.240 1.00 1.34 N ATOM 0 H HIS A 137 -5.454 -0.865 13.198 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.750 -3.023 15.031 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.790 -2.685 12.217 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.901 -4.155 12.562 1.00 0.40 H new ATOM 0 HD2 HIS A 137 -8.400 -2.661 13.113 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -8.272 -6.335 15.223 1.00 1.13 H new ATOM 0 HE2 HIS A 137 -9.779 -4.467 14.384 1.00 1.34 H new ATOM 2152 N LEU A 138 -2.815 -2.118 12.532 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.552 -2.361 11.869 1.00 0.29 C ATOM 2154 C LEU A 138 -0.396 -1.595 12.482 1.00 0.27 C ATOM 2155 O LEU A 138 0.678 -2.150 12.690 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.720 -1.956 10.420 1.00 0.30 C ATOM 2157 CG LEU A 138 -1.807 -3.101 9.435 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.415 -4.341 10.066 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.608 -2.687 8.219 1.00 1.20 C ATOM 0 H LEU A 138 -3.394 -1.415 12.073 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.303 -3.417 11.975 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -2.623 -1.352 10.331 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.882 -1.319 10.138 1.00 0.30 H new ATOM 0 HG LEU A 138 -0.791 -3.350 9.128 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -2.460 -5.141 9.327 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -1.800 -4.660 10.908 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -3.422 -4.114 10.417 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -2.663 -3.520 7.518 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -3.615 -2.404 8.526 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.124 -1.838 7.736 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.634 -0.321 12.739 1.00 0.30 N ATOM 2172 CA GLU A 139 0.396 0.617 13.190 1.00 0.31 C ATOM 2173 C GLU A 139 1.342 0.016 14.249 1.00 0.30 C ATOM 2174 O GLU A 139 2.560 0.044 14.059 1.00 0.30 O ATOM 2175 CB GLU A 139 -0.255 1.892 13.720 1.00 0.38 C ATOM 2176 CG GLU A 139 0.691 3.074 13.784 1.00 0.40 C ATOM 2177 CD GLU A 139 0.053 4.276 14.438 1.00 0.49 C ATOM 2178 OE1 GLU A 139 -0.664 5.021 13.746 1.00 0.75 O ATOM 2179 OE2 GLU A 139 0.265 4.473 15.654 1.00 0.61 O ATOM 0 H GLU A 139 -1.557 0.103 12.641 1.00 0.30 H new ATOM 0 HA GLU A 139 1.013 0.850 12.322 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -1.102 2.149 13.084 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.652 1.700 14.717 1.00 0.38 H new ATOM 0 HG2 GLU A 139 1.586 2.792 14.339 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.011 3.337 12.776 1.00 0.40 H new ATOM 2186 N PRO A 140 0.820 -0.544 15.368 1.00 0.32 N ATOM 2187 CA PRO A 140 1.671 -1.157 16.400 1.00 0.34 C ATOM 2188 C PRO A 140 2.479 -2.330 15.852 1.00 0.32 C ATOM 2189 O PRO A 140 3.689 -2.419 16.066 1.00 0.34 O ATOM 2190 CB PRO A 140 0.677 -1.638 17.463 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.643 -1.697 16.772 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.611 -0.623 15.727 1.00 0.36 C ATOM 0 HA PRO A 140 2.408 -0.454 16.788 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.961 -2.616 17.853 1.00 0.40 H new ATOM 0 HB3 PRO A 140 0.647 -0.954 18.311 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -0.804 -2.676 16.320 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -1.459 -1.533 17.475 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -1.228 -0.880 14.866 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.982 0.326 16.114 1.00 0.36 H new ATOM 2200 N TRP A 141 1.797 -3.213 15.131 1.00 0.31 N ATOM 2201 CA TRP A 141 2.421 -4.370 14.495 1.00 0.32 C ATOM 2202 C TRP A 141 3.565 -3.918 13.594 1.00 0.31 C ATOM 2203 O TRP A 141 4.658 -4.468 13.639 1.00 0.36 O ATOM 2204 CB TRP A 141 1.367 -5.117 13.673 1.00 0.35 C ATOM 2205 CG TRP A 141 1.530 -6.604 13.667 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.621 -7.313 13.261 1.00 0.43 C ATOM 2207 CD2 TRP A 141 0.550 -7.568 14.070 1.00 0.63 C ATOM 2208 NE1 TRP A 141 2.382 -8.659 13.394 1.00 0.60 N ATOM 2209 CE2 TRP A 141 1.117 -8.842 13.888 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -0.752 -7.476 14.571 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 0.429 -10.015 14.188 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -1.436 -8.640 14.867 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -0.844 -9.895 14.675 1.00 1.20 C ATOM 0 H TRP A 141 0.792 -3.147 14.970 1.00 0.31 H new ATOM 0 HA TRP A 141 2.825 -5.034 15.260 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.379 -4.873 14.064 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.402 -4.755 12.645 1.00 0.35 H new ATOM 0 HD1 TRP A 141 3.538 -6.880 12.890 1.00 0.43 H new ATOM 0 HE1 TRP A 141 3.040 -9.403 13.162 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -1.215 -6.512 14.724 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 0.883 -10.984 14.042 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -2.443 -8.581 15.253 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -1.404 -10.786 14.916 1.00 1.20 H new ATOM 2224 N ILE A 142 3.297 -2.906 12.789 1.00 0.26 N ATOM 2225 CA ILE A 142 4.300 -2.290 11.931 1.00 0.26 C ATOM 2226 C ILE A 142 5.574 -1.956 12.699 1.00 0.29 C ATOM 2227 O ILE A 142 6.672 -2.327 12.287 1.00 0.32 O ATOM 2228 CB ILE A 142 3.718 -1.008 11.319 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.660 -1.383 10.300 1.00 0.28 C ATOM 2230 CG2 ILE A 142 4.803 -0.151 10.692 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.680 -0.284 10.015 1.00 0.26 C ATOM 0 H ILE A 142 2.372 -2.484 12.710 1.00 0.26 H new ATOM 0 HA ILE A 142 4.562 -3.002 11.148 1.00 0.26 H new ATOM 0 HB ILE A 142 3.262 -0.412 12.109 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.150 -1.671 9.370 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.117 -2.258 10.658 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.357 0.749 10.268 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.531 0.129 11.453 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.302 -0.715 9.904 1.00 0.28 H new ATOM 0 HD11 ILE A 142 0.954 -0.626 9.277 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.162 -0.011 10.934 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.211 0.585 9.626 1.00 0.26 H new ATOM 2243 N GLN A 143 5.415 -1.251 13.806 1.00 0.30 N ATOM 2244 CA GLN A 143 6.542 -0.840 14.633 1.00 0.35 C ATOM 2245 C GLN A 143 7.329 -2.051 15.150 1.00 0.39 C ATOM 2246 O GLN A 143 8.544 -1.975 15.335 1.00 0.43 O ATOM 2247 CB GLN A 143 6.041 0.009 15.796 1.00 0.41 C ATOM 2248 CG GLN A 143 5.154 1.163 15.355 1.00 0.43 C ATOM 2249 CD GLN A 143 5.876 2.175 14.485 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.084 2.386 14.614 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.134 2.807 13.588 1.00 0.52 N ATOM 0 H GLN A 143 4.507 -0.947 14.158 1.00 0.30 H new ATOM 0 HA GLN A 143 7.221 -0.247 14.020 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.485 -0.625 16.487 1.00 0.41 H new ATOM 0 HB3 GLN A 143 6.896 0.405 16.344 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.299 0.767 14.807 1.00 0.43 H new ATOM 0 HG3 GLN A 143 4.760 1.668 16.237 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.137 2.602 13.515 1.00 0.52 H new ATOM 0 HE22 GLN A 143 5.559 3.499 12.970 1.00 0.52 H new ATOM 2260 N GLU A 144 6.636 -3.173 15.356 1.00 0.40 N ATOM 2261 CA GLU A 144 7.274 -4.420 15.777 1.00 0.47 C ATOM 2262 C GLU A 144 8.203 -4.943 14.685 1.00 0.48 C ATOM 2263 O GLU A 144 9.110 -5.738 14.933 1.00 0.55 O ATOM 2264 CB GLU A 144 6.198 -5.461 16.062 1.00 0.51 C ATOM 2265 CG GLU A 144 5.150 -4.991 17.040 1.00 0.52 C ATOM 2266 CD GLU A 144 5.621 -5.031 18.477 1.00 0.61 C ATOM 2267 OE1 GLU A 144 5.497 -6.093 19.122 1.00 0.78 O ATOM 2268 OE2 GLU A 144 6.125 -4.004 18.969 1.00 0.67 O ATOM 0 H GLU A 144 5.625 -3.242 15.237 1.00 0.40 H new ATOM 0 HA GLU A 144 7.861 -4.229 16.675 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.712 -5.736 15.126 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.670 -6.362 16.453 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.857 -3.972 16.788 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.261 -5.613 16.938 1.00 0.52 H new ATOM 2275 N ASN A 145 7.956 -4.482 13.476 1.00 0.44 N ATOM 2276 CA ASN A 145 8.676 -4.936 12.298 1.00 0.48 C ATOM 2277 C ASN A 145 9.554 -3.817 11.765 1.00 0.47 C ATOM 2278 O ASN A 145 10.096 -3.891 10.662 1.00 0.57 O ATOM 2279 CB ASN A 145 7.675 -5.399 11.246 1.00 0.49 C ATOM 2280 CG ASN A 145 6.928 -6.637 11.699 1.00 0.58 C ATOM 2281 OD1 ASN A 145 7.263 -7.758 11.321 1.00 0.93 O ATOM 2282 ND2 ASN A 145 5.926 -6.440 12.545 1.00 0.54 N ATOM 0 H ASN A 145 7.246 -3.777 13.279 1.00 0.44 H new ATOM 0 HA ASN A 145 9.322 -5.775 12.557 1.00 0.48 H new ATOM 0 HB2 ASN A 145 6.964 -4.598 11.041 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.197 -5.609 10.312 1.00 0.49 H new ATOM 0 HD21 ASN A 145 5.401 -7.236 12.907 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.681 -5.493 12.833 1.00 0.54 H new ATOM 2289 N GLY A 146 9.672 -2.775 12.566 1.00 0.42 N ATOM 2290 CA GLY A 146 10.575 -1.694 12.265 1.00 0.45 C ATOM 2291 C GLY A 146 9.859 -0.392 11.989 1.00 0.44 C ATOM 2292 O GLY A 146 10.230 0.654 12.520 1.00 0.56 O ATOM 0 H GLY A 146 9.148 -2.659 13.434 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.261 -1.556 13.101 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.179 -1.962 11.398 1.00 0.45 H new ATOM 2296 N GLY A 147 8.831 -0.453 11.166 1.00 0.36 N ATOM 2297 CA GLY A 147 8.110 0.745 10.794 1.00 0.36 C ATOM 2298 C GLY A 147 7.906 0.839 9.299 1.00 0.38 C ATOM 2299 O GLY A 147 8.359 -0.030 8.550 1.00 0.49 O ATOM 0 H GLY A 147 8.479 -1.313 10.746 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.141 0.756 11.294 1.00 0.36 H new ATOM 0 HA3 GLY A 147 8.658 1.621 11.141 1.00 0.36 H new ATOM 2303 N TRP A 148 7.226 1.889 8.862 1.00 0.35 N ATOM 2304 CA TRP A 148 6.947 2.083 7.449 1.00 0.37 C ATOM 2305 C TRP A 148 8.225 2.391 6.684 1.00 0.38 C ATOM 2306 O TRP A 148 8.439 1.875 5.588 1.00 0.40 O ATOM 2307 CB TRP A 148 5.950 3.220 7.253 1.00 0.39 C ATOM 2308 CG TRP A 148 4.584 2.933 7.787 1.00 0.46 C ATOM 2309 CD1 TRP A 148 3.687 2.031 7.297 1.00 0.79 C ATOM 2310 CD2 TRP A 148 3.953 3.566 8.901 1.00 1.45 C ATOM 2311 NE1 TRP A 148 2.535 2.063 8.042 1.00 0.52 N ATOM 2312 CE2 TRP A 148 2.676 2.995 9.037 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.346 4.556 9.801 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 1.791 3.387 10.035 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 3.465 4.942 10.792 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.202 4.358 10.903 1.00 3.32 C ATOM 0 H TRP A 148 6.857 2.621 9.469 1.00 0.35 H new ATOM 0 HA TRP A 148 6.518 1.159 7.062 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.337 4.116 7.738 1.00 0.39 H new ATOM 0 HB3 TRP A 148 5.873 3.442 6.189 1.00 0.39 H new ATOM 0 HD1 TRP A 148 3.858 1.386 6.448 1.00 0.79 H new ATOM 0 HE1 TRP A 148 1.709 1.487 7.881 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.322 5.013 9.724 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 0.812 2.939 10.121 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 3.758 5.709 11.493 1.00 3.57 H new ATOM 0 HH2 TRP A 148 1.537 4.680 11.691 1.00 3.32 H new ATOM 2327 N ASP A 149 9.072 3.230 7.273 1.00 0.42 N ATOM 2328 CA ASP A 149 10.339 3.607 6.654 1.00 0.47 C ATOM 2329 C ASP A 149 11.191 2.371 6.429 1.00 0.47 C ATOM 2330 O ASP A 149 11.851 2.229 5.404 1.00 0.52 O ATOM 2331 CB ASP A 149 11.092 4.604 7.539 1.00 0.56 C ATOM 2332 CG ASP A 149 12.409 5.052 6.937 1.00 1.23 C ATOM 2333 OD1 ASP A 149 12.400 5.989 6.112 1.00 1.72 O ATOM 2334 OD2 ASP A 149 13.456 4.456 7.270 1.00 1.96 O ATOM 0 H ASP A 149 8.903 3.663 8.181 1.00 0.42 H new ATOM 0 HA ASP A 149 10.131 4.080 5.694 1.00 0.47 H new ATOM 0 HB2 ASP A 149 10.462 5.477 7.711 1.00 0.56 H new ATOM 0 HB3 ASP A 149 11.279 4.149 8.512 1.00 0.56 H new ATOM 2339 N THR A 150 11.126 1.457 7.385 1.00 0.47 N ATOM 2340 CA THR A 150 11.873 0.217 7.313 1.00 0.51 C ATOM 2341 C THR A 150 11.464 -0.603 6.093 1.00 0.50 C ATOM 2342 O THR A 150 12.307 -1.219 5.450 1.00 0.56 O ATOM 2343 CB THR A 150 11.674 -0.615 8.585 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.049 0.167 9.729 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.502 -1.889 8.527 1.00 0.67 C ATOM 0 H THR A 150 10.557 1.555 8.226 1.00 0.47 H new ATOM 0 HA THR A 150 12.928 0.476 7.221 1.00 0.51 H new ATOM 0 HB THR A 150 10.624 -0.895 8.665 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.382 -0.425 10.435 1.00 0.62 H new ATOM 0 HG21 THR A 150 12.347 -2.466 9.439 1.00 0.67 H new ATOM 0 HG22 THR A 150 12.196 -2.483 7.666 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.557 -1.633 8.435 1.00 0.67 H new ATOM 2353 N PHE A 151 10.178 -0.590 5.762 1.00 0.45 N ATOM 2354 CA PHE A 151 9.697 -1.305 4.586 1.00 0.47 C ATOM 2355 C PHE A 151 10.392 -0.780 3.339 1.00 0.48 C ATOM 2356 O PHE A 151 10.780 -1.546 2.459 1.00 0.55 O ATOM 2357 CB PHE A 151 8.178 -1.169 4.433 1.00 0.47 C ATOM 2358 CG PHE A 151 7.654 -1.791 3.166 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.342 -3.142 3.117 1.00 1.80 C ATOM 2360 CD2 PHE A 151 7.463 -1.024 2.030 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.850 -3.712 1.959 1.00 2.65 C ATOM 2362 CE2 PHE A 151 6.969 -1.588 0.870 1.00 2.61 C ATOM 2363 CZ PHE A 151 6.707 -2.945 0.822 1.00 3.00 C ATOM 0 H PHE A 151 9.455 -0.097 6.286 1.00 0.45 H new ATOM 0 HA PHE A 151 9.930 -2.362 4.715 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.689 -1.635 5.289 1.00 0.47 H new ATOM 0 HB3 PHE A 151 7.910 -0.113 4.450 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.485 -3.755 3.994 1.00 1.80 H new ATOM 0 HD2 PHE A 151 7.703 0.029 2.051 1.00 1.75 H new ATOM 0 HE1 PHE A 151 6.578 -4.757 1.944 1.00 2.65 H new ATOM 0 HE2 PHE A 151 6.788 -0.971 0.003 1.00 2.61 H new ATOM 0 HZ PHE A 151 6.391 -3.403 -0.104 1.00 3.00 H new ATOM 2373 N VAL A 152 10.565 0.531 3.279 1.00 0.45 N ATOM 2374 CA VAL A 152 11.229 1.158 2.150 1.00 0.49 C ATOM 2375 C VAL A 152 12.739 0.911 2.224 1.00 0.57 C ATOM 2376 O VAL A 152 13.444 0.946 1.220 1.00 0.64 O ATOM 2377 CB VAL A 152 10.904 2.672 2.033 1.00 0.60 C ATOM 2378 CG1 VAL A 152 9.687 3.037 2.871 1.00 1.15 C ATOM 2379 CG2 VAL A 152 12.098 3.537 2.392 1.00 0.91 C ATOM 0 H VAL A 152 10.254 1.181 4.001 1.00 0.45 H new ATOM 0 HA VAL A 152 10.843 0.696 1.242 1.00 0.49 H new ATOM 0 HB VAL A 152 10.666 2.872 0.988 1.00 0.60 H new ATOM 0 HG11 VAL A 152 9.482 4.103 2.770 1.00 1.15 H new ATOM 0 HG12 VAL A 152 8.824 2.468 2.526 1.00 1.15 H new ATOM 0 HG13 VAL A 152 9.882 2.802 3.917 1.00 1.15 H new ATOM 0 HG21 VAL A 152 11.827 4.589 2.297 1.00 0.91 H new ATOM 0 HG22 VAL A 152 12.400 3.332 3.419 1.00 0.91 H new ATOM 0 HG23 VAL A 152 12.925 3.313 1.718 1.00 0.91 H new ATOM 2389 N GLU A 153 13.243 0.677 3.423 1.00 0.59 N ATOM 2390 CA GLU A 153 14.631 0.280 3.583 1.00 0.69 C ATOM 2391 C GLU A 153 14.855 -1.101 2.972 1.00 0.70 C ATOM 2392 O GLU A 153 15.973 -1.465 2.599 1.00 0.80 O ATOM 2393 CB GLU A 153 15.019 0.299 5.058 1.00 0.76 C ATOM 2394 CG GLU A 153 14.980 1.698 5.631 1.00 0.80 C ATOM 2395 CD GLU A 153 15.980 2.616 4.963 1.00 1.31 C ATOM 2396 OE1 GLU A 153 17.183 2.533 5.290 1.00 1.58 O ATOM 2397 OE2 GLU A 153 15.572 3.433 4.113 1.00 1.67 O ATOM 0 H GLU A 153 12.717 0.754 4.294 1.00 0.59 H new ATOM 0 HA GLU A 153 15.268 0.991 3.058 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.341 -0.343 5.620 1.00 0.76 H new ATOM 0 HB3 GLU A 153 16.021 -0.114 5.176 1.00 0.76 H new ATOM 0 HG2 GLU A 153 13.977 2.109 5.514 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.185 1.657 6.701 1.00 0.80 H new ATOM 2404 N LEU A 154 13.772 -1.863 2.860 1.00 0.67 N ATOM 2405 CA LEU A 154 13.816 -3.184 2.252 1.00 0.72 C ATOM 2406 C LEU A 154 13.463 -3.103 0.764 1.00 0.74 C ATOM 2407 O LEU A 154 14.253 -3.488 -0.096 1.00 0.83 O ATOM 2408 CB LEU A 154 12.832 -4.134 2.955 1.00 0.72 C ATOM 2409 CG LEU A 154 12.678 -3.931 4.466 1.00 0.83 C ATOM 2410 CD1 LEU A 154 11.748 -4.975 5.059 1.00 1.30 C ATOM 2411 CD2 LEU A 154 14.026 -3.960 5.163 1.00 1.14 C ATOM 0 H LEU A 154 12.847 -1.583 3.186 1.00 0.67 H new ATOM 0 HA LEU A 154 14.829 -3.570 2.361 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.852 -4.022 2.490 1.00 0.72 H new ATOM 0 HB3 LEU A 154 13.155 -5.160 2.776 1.00 0.72 H new ATOM 0 HG LEU A 154 12.237 -2.947 4.626 1.00 0.83 H new ATOM 0 HD11 LEU A 154 11.654 -4.811 6.132 1.00 1.30 H new ATOM 0 HD12 LEU A 154 10.766 -4.895 4.592 1.00 1.30 H new ATOM 0 HD13 LEU A 154 12.155 -5.970 4.878 1.00 1.30 H new ATOM 0 HD21 LEU A 154 13.885 -3.813 6.234 1.00 1.14 H new ATOM 0 HD22 LEU A 154 14.505 -4.923 4.989 1.00 1.14 H new ATOM 0 HD23 LEU A 154 14.657 -3.164 4.768 1.00 1.14 H new ATOM 2423 N TYR A 155 12.271 -2.592 0.474 1.00 0.69 N ATOM 2424 CA TYR A 155 11.734 -2.578 -0.885 1.00 0.78 C ATOM 2425 C TYR A 155 11.410 -1.163 -1.345 1.00 0.77 C ATOM 2426 O TYR A 155 10.501 -0.955 -2.151 1.00 1.15 O ATOM 2427 CB TYR A 155 10.480 -3.444 -0.958 1.00 0.86 C ATOM 2428 CG TYR A 155 10.771 -4.905 -1.218 1.00 1.40 C ATOM 2429 CD1 TYR A 155 11.110 -5.768 -0.184 1.00 1.83 C ATOM 2430 CD2 TYR A 155 10.714 -5.416 -2.508 1.00 2.24 C ATOM 2431 CE1 TYR A 155 11.386 -7.100 -0.429 1.00 2.65 C ATOM 2432 CE2 TYR A 155 10.989 -6.746 -2.760 1.00 3.16 C ATOM 2433 CZ TYR A 155 11.324 -7.582 -1.719 1.00 3.24 C ATOM 2434 OH TYR A 155 11.601 -8.906 -1.970 1.00 4.24 O ATOM 0 H TYR A 155 11.651 -2.177 1.170 1.00 0.69 H new ATOM 0 HA TYR A 155 12.498 -2.981 -1.549 1.00 0.78 H new ATOM 0 HB2 TYR A 155 9.930 -3.352 -0.022 1.00 0.86 H new ATOM 0 HB3 TYR A 155 9.831 -3.065 -1.748 1.00 0.86 H new ATOM 0 HD1 TYR A 155 11.159 -5.392 0.827 1.00 1.83 H new ATOM 0 HD2 TYR A 155 10.451 -4.763 -3.327 1.00 2.24 H new ATOM 0 HE1 TYR A 155 11.649 -7.759 0.385 1.00 2.65 H new ATOM 0 HE2 TYR A 155 10.941 -7.128 -3.769 1.00 3.16 H new ATOM 0 HH TYR A 155 11.181 -9.464 -1.283 1.00 4.24 H new ATOM 2444 N GLY A 156 12.156 -0.201 -0.836 1.00 0.66 N ATOM 2445 CA GLY A 156 11.908 1.188 -1.155 1.00 0.64 C ATOM 2446 C GLY A 156 12.087 1.514 -2.610 1.00 0.78 C ATOM 2447 O GLY A 156 12.801 0.827 -3.344 1.00 1.10 O ATOM 0 H GLY A 156 12.938 -0.358 -0.200 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.891 1.444 -0.857 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.580 1.812 -0.566 1.00 0.64 H new ATOM 2451 N ASN A 157 11.413 2.568 -3.004 1.00 0.70 N ATOM 2452 CA ASN A 157 11.506 3.123 -4.333 1.00 0.80 C ATOM 2453 C ASN A 157 12.961 3.437 -4.675 1.00 1.14 C ATOM 2454 O ASN A 157 13.665 4.061 -3.881 1.00 1.29 O ATOM 2455 CB ASN A 157 10.678 4.394 -4.344 1.00 0.70 C ATOM 2456 CG ASN A 157 10.502 4.991 -5.722 1.00 0.77 C ATOM 2457 OD1 ASN A 157 11.360 5.718 -6.207 1.00 0.88 O ATOM 2458 ND2 ASN A 157 9.372 4.716 -6.351 1.00 0.76 N ATOM 0 H ASN A 157 10.770 3.075 -2.396 1.00 0.70 H new ATOM 0 HA ASN A 157 11.138 2.414 -5.075 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.696 4.181 -3.921 1.00 0.70 H new ATOM 0 HB3 ASN A 157 11.151 5.131 -3.696 1.00 0.70 H new ATOM 0 HD21 ASN A 157 9.191 5.114 -7.273 1.00 0.76 H new ATOM 0 HD22 ASN A 157 8.681 4.106 -5.915 1.00 0.76 H new ATOM 2465 N ASN A 158 13.408 3.017 -5.853 1.00 1.40 N ATOM 2466 CA ASN A 158 14.814 3.168 -6.234 1.00 1.79 C ATOM 2467 C ASN A 158 15.139 4.583 -6.723 1.00 1.93 C ATOM 2468 O ASN A 158 16.161 4.790 -7.375 1.00 2.18 O ATOM 2469 CB ASN A 158 15.216 2.152 -7.301 1.00 2.11 C ATOM 2470 CG ASN A 158 14.817 2.565 -8.698 1.00 2.55 C ATOM 2471 OD1 ASN A 158 13.728 3.093 -8.927 1.00 2.99 O ATOM 2472 ND2 ASN A 158 15.717 2.349 -9.632 1.00 2.94 N ATOM 0 H ASN A 158 12.823 2.571 -6.560 1.00 1.40 H new ATOM 0 HA ASN A 158 15.393 2.983 -5.329 1.00 1.79 H new ATOM 0 HB2 ASN A 158 16.296 2.007 -7.267 1.00 2.11 H new ATOM 0 HB3 ASN A 158 14.758 1.191 -7.069 1.00 2.11 H new ATOM 0 HD21 ASN A 158 15.527 2.622 -10.596 1.00 2.94 H new ATOM 0 HD22 ASN A 158 16.605 1.908 -9.392 1.00 2.94 H new ATOM 2479 N ALA A 159 14.277 5.545 -6.405 1.00 1.86 N ATOM 2480 CA ALA A 159 14.502 6.943 -6.775 1.00 2.10 C ATOM 2481 C ALA A 159 15.909 7.405 -6.395 1.00 2.25 C ATOM 2482 O ALA A 159 16.571 8.098 -7.165 1.00 2.52 O ATOM 2483 CB ALA A 159 13.465 7.835 -6.113 1.00 2.14 C ATOM 0 H ALA A 159 13.412 5.383 -5.890 1.00 1.86 H new ATOM 0 HA ALA A 159 14.405 7.019 -7.858 1.00 2.10 H new ATOM 0 HB1 ALA A 159 13.643 8.872 -6.396 1.00 2.14 H new ATOM 0 HB2 ALA A 159 12.468 7.537 -6.437 1.00 2.14 H new ATOM 0 HB3 ALA A 159 13.539 7.737 -5.030 1.00 2.14 H new ATOM 2489 N ALA A 160 16.368 7.002 -5.215 1.00 2.17 N ATOM 2490 CA ALA A 160 17.700 7.365 -4.752 1.00 2.44 C ATOM 2491 C ALA A 160 18.760 6.561 -5.493 1.00 2.55 C ATOM 2492 O ALA A 160 19.826 7.078 -5.816 1.00 2.87 O ATOM 2493 CB ALA A 160 17.821 7.160 -3.251 1.00 2.45 C ATOM 0 H ALA A 160 15.837 6.424 -4.563 1.00 2.17 H new ATOM 0 HA ALA A 160 17.861 8.422 -4.964 1.00 2.44 H new ATOM 0 HB1 ALA A 160 18.824 7.437 -2.926 1.00 2.45 H new ATOM 0 HB2 ALA A 160 17.088 7.783 -2.738 1.00 2.45 H new ATOM 0 HB3 ALA A 160 17.638 6.113 -3.011 1.00 2.45 H new ATOM 2499 N ALA A 161 18.447 5.299 -5.772 1.00 2.37 N ATOM 2500 CA ALA A 161 19.345 4.418 -6.516 1.00 2.60 C ATOM 2501 C ALA A 161 19.739 5.037 -7.852 1.00 2.85 C ATOM 2502 O ALA A 161 20.915 5.266 -8.120 1.00 3.20 O ATOM 2503 CB ALA A 161 18.692 3.062 -6.746 1.00 2.50 C ATOM 0 H ALA A 161 17.570 4.859 -5.492 1.00 2.37 H new ATOM 0 HA ALA A 161 20.247 4.282 -5.920 1.00 2.60 H new ATOM 0 HB1 ALA A 161 19.375 2.419 -7.301 1.00 2.50 H new ATOM 0 HB2 ALA A 161 18.461 2.602 -5.785 1.00 2.50 H new ATOM 0 HB3 ALA A 161 17.772 3.193 -7.316 1.00 2.50 H new ATOM 2509 N GLU A 162 18.743 5.316 -8.684 1.00 2.76 N ATOM 2510 CA GLU A 162 18.976 5.926 -9.981 1.00 3.08 C ATOM 2511 C GLU A 162 19.510 7.349 -9.851 1.00 3.31 C ATOM 2512 O GLU A 162 20.194 7.845 -10.748 1.00 3.67 O ATOM 2513 CB GLU A 162 17.700 5.920 -10.811 1.00 3.06 C ATOM 2514 CG GLU A 162 16.459 6.327 -10.041 1.00 3.25 C ATOM 2515 CD GLU A 162 15.267 6.525 -10.947 1.00 3.48 C ATOM 2516 OE1 GLU A 162 15.072 7.653 -11.444 1.00 3.72 O ATOM 2517 OE2 GLU A 162 14.510 5.555 -11.155 1.00 3.71 O ATOM 0 H GLU A 162 17.762 5.127 -8.479 1.00 2.76 H new ATOM 0 HA GLU A 162 19.735 5.330 -10.488 1.00 3.08 H new ATOM 0 HB2 GLU A 162 17.827 6.595 -11.658 1.00 3.06 H new ATOM 0 HB3 GLU A 162 17.550 4.921 -11.220 1.00 3.06 H new ATOM 0 HG2 GLU A 162 16.227 5.563 -9.299 1.00 3.25 H new ATOM 0 HG3 GLU A 162 16.657 7.250 -9.497 1.00 3.25 H new ATOM 2524 N SER A 163 19.208 8.003 -8.743 1.00 3.19 N ATOM 2525 CA SER A 163 19.738 9.332 -8.507 1.00 3.52 C ATOM 2526 C SER A 163 21.240 9.238 -8.233 1.00 3.81 C ATOM 2527 O SER A 163 22.014 10.125 -8.600 1.00 4.18 O ATOM 2528 CB SER A 163 19.011 10.007 -7.340 1.00 3.44 C ATOM 2529 OG SER A 163 19.247 11.406 -7.328 1.00 3.87 O ATOM 0 H SER A 163 18.607 7.641 -8.003 1.00 3.19 H new ATOM 0 HA SER A 163 19.576 9.944 -9.394 1.00 3.52 H new ATOM 0 HB2 SER A 163 17.940 9.817 -7.416 1.00 3.44 H new ATOM 0 HB3 SER A 163 19.346 9.571 -6.399 1.00 3.44 H new ATOM 0 HG SER A 163 18.770 11.812 -6.574 1.00 3.87 H new ATOM 2535 N ARG A 164 21.649 8.144 -7.595 1.00 3.70 N ATOM 2536 CA ARG A 164 23.061 7.851 -7.404 1.00 4.07 C ATOM 2537 C ARG A 164 23.675 7.438 -8.727 1.00 4.24 C ATOM 2538 O ARG A 164 24.793 7.818 -9.059 1.00 4.61 O ATOM 2539 CB ARG A 164 23.250 6.741 -6.374 1.00 4.05 C ATOM 2540 CG ARG A 164 22.802 7.141 -4.987 1.00 4.12 C ATOM 2541 CD ARG A 164 23.751 8.141 -4.359 1.00 4.41 C ATOM 2542 NE ARG A 164 23.338 8.504 -3.008 1.00 4.73 N ATOM 2543 CZ ARG A 164 24.010 9.342 -2.223 1.00 5.32 C ATOM 2544 NH1 ARG A 164 25.120 9.926 -2.660 1.00 5.65 N ATOM 2545 NH2 ARG A 164 23.568 9.592 -0.996 1.00 5.82 N ATOM 0 H ARG A 164 21.018 7.446 -7.202 1.00 3.70 H new ATOM 0 HA ARG A 164 23.557 8.748 -7.034 1.00 4.07 H new ATOM 0 HB2 ARG A 164 22.691 5.860 -6.690 1.00 4.05 H new ATOM 0 HB3 ARG A 164 24.302 6.457 -6.343 1.00 4.05 H new ATOM 0 HG2 ARG A 164 21.802 7.571 -5.037 1.00 4.12 H new ATOM 0 HG3 ARG A 164 22.737 6.255 -4.356 1.00 4.12 H new ATOM 0 HD2 ARG A 164 24.756 7.720 -4.331 1.00 4.41 H new ATOM 0 HD3 ARG A 164 23.797 9.037 -4.978 1.00 4.41 H new ATOM 0 HE ARG A 164 22.481 8.090 -2.642 1.00 4.73 H new ATOM 0 HH11 ARG A 164 25.461 9.733 -3.602 1.00 5.65 H new ATOM 0 HH12 ARG A 164 25.631 10.568 -2.054 1.00 5.65 H new ATOM 0 HH21 ARG A 164 22.717 9.142 -0.659 1.00 5.82 H new ATOM 0 HH22 ARG A 164 24.080 10.234 -0.390 1.00 5.82 H new ATOM 2559 N LYS A 165 22.899 6.670 -9.468 1.00 4.03 N ATOM 2560 CA LYS A 165 23.269 6.186 -10.795 1.00 4.26 C ATOM 2561 C LYS A 165 23.791 7.315 -11.676 1.00 4.49 C ATOM 2562 O LYS A 165 24.854 7.197 -12.288 1.00 4.77 O ATOM 2563 CB LYS A 165 22.051 5.551 -11.466 1.00 4.10 C ATOM 2564 CG LYS A 165 22.297 5.138 -12.896 1.00 4.47 C ATOM 2565 CD LYS A 165 21.011 5.089 -13.705 1.00 4.47 C ATOM 2566 CE LYS A 165 20.353 6.461 -13.793 1.00 4.43 C ATOM 2567 NZ LYS A 165 19.170 6.460 -14.692 1.00 4.72 N ATOM 0 H LYS A 165 21.977 6.357 -9.164 1.00 4.03 H new ATOM 0 HA LYS A 165 24.063 5.449 -10.674 1.00 4.26 H new ATOM 0 HB2 LYS A 165 21.745 4.677 -10.892 1.00 4.10 H new ATOM 0 HB3 LYS A 165 21.221 6.258 -11.438 1.00 4.10 H new ATOM 0 HG2 LYS A 165 22.991 5.838 -13.361 1.00 4.47 H new ATOM 0 HG3 LYS A 165 22.773 4.158 -12.913 1.00 4.47 H new ATOM 0 HD2 LYS A 165 21.225 4.722 -14.709 1.00 4.47 H new ATOM 0 HD3 LYS A 165 20.319 4.381 -13.248 1.00 4.47 H new ATOM 0 HE2 LYS A 165 20.049 6.781 -12.796 1.00 4.43 H new ATOM 0 HE3 LYS A 165 21.080 7.188 -14.153 1.00 4.43 H new ATOM 0 HZ1 LYS A 165 18.755 7.413 -14.721 1.00 4.72 H new ATOM 0 HZ2 LYS A 165 19.462 6.180 -15.650 1.00 4.72 H new ATOM 0 HZ3 LYS A 165 18.463 5.786 -14.335 1.00 4.72 H new ATOM 2581 N GLY A 166 23.035 8.407 -11.726 1.00 4.45 N ATOM 2582 CA GLY A 166 23.360 9.502 -12.615 1.00 4.72 C ATOM 2583 C GLY A 166 24.685 10.166 -12.293 1.00 4.91 C ATOM 2584 O GLY A 166 25.443 10.512 -13.198 1.00 5.10 O ATOM 0 H GLY A 166 22.198 8.551 -11.162 1.00 4.45 H new ATOM 0 HA2 GLY A 166 23.387 9.132 -13.640 1.00 4.72 H new ATOM 0 HA3 GLY A 166 22.567 10.248 -12.566 1.00 4.72 H new ATOM 2588 N GLN A 167 24.975 10.338 -11.011 1.00 4.92 N ATOM 2589 CA GLN A 167 26.215 10.990 -10.594 1.00 5.16 C ATOM 2590 C GLN A 167 27.366 9.994 -10.520 1.00 5.19 C ATOM 2591 O GLN A 167 28.539 10.376 -10.543 1.00 5.45 O ATOM 2592 CB GLN A 167 26.029 11.702 -9.253 1.00 5.30 C ATOM 2593 CG GLN A 167 25.371 10.845 -8.185 1.00 5.16 C ATOM 2594 CD GLN A 167 25.258 11.565 -6.859 1.00 5.42 C ATOM 2595 OE1 GLN A 167 26.104 12.388 -6.512 1.00 5.60 O ATOM 2596 NE2 GLN A 167 24.200 11.282 -6.118 1.00 5.72 N ATOM 0 H GLN A 167 24.374 10.038 -10.243 1.00 4.92 H new ATOM 0 HA GLN A 167 26.468 11.736 -11.347 1.00 5.16 H new ATOM 0 HB2 GLN A 167 27.002 12.032 -8.891 1.00 5.30 H new ATOM 0 HB3 GLN A 167 25.426 12.597 -9.409 1.00 5.30 H new ATOM 0 HG2 GLN A 167 24.377 10.549 -8.521 1.00 5.16 H new ATOM 0 HG3 GLN A 167 25.947 9.930 -8.051 1.00 5.16 H new ATOM 0 HE21 GLN A 167 23.521 10.593 -6.441 1.00 5.72 H new ATOM 0 HE22 GLN A 167 24.063 11.753 -5.223 1.00 5.72 H new ATOM 2605 N GLU A 168 27.022 8.720 -10.448 1.00 5.02 N ATOM 2606 CA GLU A 168 28.008 7.647 -10.448 1.00 5.17 C ATOM 2607 C GLU A 168 28.592 7.471 -11.849 1.00 5.30 C ATOM 2608 O GLU A 168 29.619 6.818 -12.032 1.00 5.55 O ATOM 2609 CB GLU A 168 27.342 6.350 -9.982 1.00 5.10 C ATOM 2610 CG GLU A 168 28.287 5.173 -9.844 1.00 5.39 C ATOM 2611 CD GLU A 168 27.549 3.877 -9.602 1.00 5.63 C ATOM 2612 OE1 GLU A 168 27.076 3.274 -10.586 1.00 5.81 O ATOM 2613 OE2 GLU A 168 27.443 3.454 -8.434 1.00 5.88 O ATOM 0 H GLU A 168 26.056 8.398 -10.388 1.00 5.02 H new ATOM 0 HA GLU A 168 28.820 7.899 -9.766 1.00 5.17 H new ATOM 0 HB2 GLU A 168 26.861 6.528 -9.020 1.00 5.10 H new ATOM 0 HB3 GLU A 168 26.554 6.087 -10.688 1.00 5.10 H new ATOM 0 HG2 GLU A 168 28.889 5.084 -10.749 1.00 5.39 H new ATOM 0 HG3 GLU A 168 28.976 5.357 -9.020 1.00 5.39 H new ATOM 2620 N ARG A 169 27.935 8.097 -12.823 1.00 5.23 N ATOM 2621 CA ARG A 169 28.289 7.975 -14.238 1.00 5.45 C ATOM 2622 C ARG A 169 29.750 8.363 -14.481 1.00 5.78 C ATOM 2623 O ARG A 169 30.433 7.759 -15.310 1.00 6.09 O ATOM 2624 CB ARG A 169 27.349 8.872 -15.057 1.00 5.37 C ATOM 2625 CG ARG A 169 27.264 8.547 -16.544 1.00 5.66 C ATOM 2626 CD ARG A 169 28.430 9.119 -17.335 1.00 6.08 C ATOM 2627 NE ARG A 169 28.206 9.005 -18.776 1.00 6.39 N ATOM 2628 CZ ARG A 169 29.131 9.235 -19.704 1.00 6.90 C ATOM 2629 NH1 ARG A 169 30.369 9.557 -19.358 1.00 7.13 N ATOM 2630 NH2 ARG A 169 28.808 9.137 -20.987 1.00 7.34 N ATOM 0 H ARG A 169 27.136 8.708 -12.653 1.00 5.23 H new ATOM 0 HA ARG A 169 28.176 6.936 -14.548 1.00 5.45 H new ATOM 0 HB2 ARG A 169 26.348 8.805 -14.630 1.00 5.37 H new ATOM 0 HB3 ARG A 169 27.674 9.906 -14.947 1.00 5.37 H new ATOM 0 HG2 ARG A 169 27.237 7.465 -16.675 1.00 5.66 H new ATOM 0 HG3 ARG A 169 26.330 8.940 -16.945 1.00 5.66 H new ATOM 0 HD2 ARG A 169 28.572 10.167 -17.069 1.00 6.08 H new ATOM 0 HD3 ARG A 169 29.347 8.594 -17.065 1.00 6.08 H new ATOM 0 HE ARG A 169 27.276 8.730 -19.091 1.00 6.39 H new ATOM 0 HH11 ARG A 169 30.620 9.630 -18.372 1.00 7.13 H new ATOM 0 HH12 ARG A 169 31.071 9.731 -20.078 1.00 7.13 H new ATOM 0 HH21 ARG A 169 27.856 8.887 -21.256 1.00 7.34 H new ATOM 0 HH22 ARG A 169 29.511 9.312 -21.705 1.00 7.34 H new ATOM 2644 N LEU A 170 30.224 9.360 -13.747 1.00 5.79 N ATOM 2645 CA LEU A 170 31.572 9.872 -13.935 1.00 6.19 C ATOM 2646 C LEU A 170 32.622 8.954 -13.321 1.00 6.32 C ATOM 2647 O LEU A 170 33.584 8.575 -13.985 1.00 6.79 O ATOM 2648 CB LEU A 170 31.688 11.272 -13.340 1.00 6.33 C ATOM 2649 CG LEU A 170 31.667 12.417 -14.355 1.00 6.61 C ATOM 2650 CD1 LEU A 170 32.889 12.351 -15.258 1.00 6.97 C ATOM 2651 CD2 LEU A 170 30.394 12.376 -15.186 1.00 6.43 C ATOM 0 H LEU A 170 29.693 9.831 -13.014 1.00 5.79 H new ATOM 0 HA LEU A 170 31.760 9.915 -15.008 1.00 6.19 H new ATOM 0 HB2 LEU A 170 30.870 11.418 -12.635 1.00 6.33 H new ATOM 0 HB3 LEU A 170 32.615 11.331 -12.769 1.00 6.33 H new ATOM 0 HG LEU A 170 31.690 13.359 -13.806 1.00 6.61 H new ATOM 0 HD11 LEU A 170 32.857 13.173 -15.973 1.00 6.97 H new ATOM 0 HD12 LEU A 170 33.793 12.430 -14.654 1.00 6.97 H new ATOM 0 HD13 LEU A 170 32.894 11.402 -15.795 1.00 6.97 H new ATOM 0 HD21 LEU A 170 30.400 13.199 -15.901 1.00 6.43 H new ATOM 0 HD22 LEU A 170 30.340 11.429 -15.723 1.00 6.43 H new ATOM 0 HD23 LEU A 170 29.528 12.471 -14.530 1.00 6.43 H new ATOM 2663 N GLU A 171 32.426 8.591 -12.063 1.00 6.03 N ATOM 2664 CA GLU A 171 33.425 7.823 -11.329 1.00 6.27 C ATOM 2665 C GLU A 171 33.388 6.340 -11.695 1.00 6.70 C ATOM 2666 O GLU A 171 34.413 5.661 -11.660 1.00 6.90 O ATOM 2667 CB GLU A 171 33.238 8.019 -9.824 1.00 6.34 C ATOM 2668 CG GLU A 171 31.818 7.776 -9.337 1.00 6.31 C ATOM 2669 CD GLU A 171 31.656 8.093 -7.868 1.00 6.67 C ATOM 2670 OE1 GLU A 171 31.393 9.265 -7.535 1.00 6.91 O ATOM 2671 OE2 GLU A 171 31.801 7.173 -7.035 1.00 6.97 O ATOM 0 H GLU A 171 31.587 8.814 -11.528 1.00 6.03 H new ATOM 0 HA GLU A 171 34.408 8.196 -11.614 1.00 6.27 H new ATOM 0 HB2 GLU A 171 33.912 7.346 -9.294 1.00 6.34 H new ATOM 0 HB3 GLU A 171 33.531 9.035 -9.562 1.00 6.34 H new ATOM 0 HG2 GLU A 171 31.127 8.388 -9.917 1.00 6.31 H new ATOM 0 HG3 GLU A 171 31.548 6.735 -9.514 1.00 6.31 H new ATOM 2678 N HIS A 172 32.213 5.835 -12.045 1.00 7.18 N ATOM 2679 CA HIS A 172 32.083 4.446 -12.465 1.00 7.91 C ATOM 2680 C HIS A 172 31.499 4.381 -13.867 1.00 8.34 C ATOM 2681 O HIS A 172 30.327 4.696 -14.081 1.00 8.55 O ATOM 2682 CB HIS A 172 31.212 3.642 -11.492 1.00 8.43 C ATOM 2683 CG HIS A 172 31.807 3.489 -10.124 1.00 8.65 C ATOM 2684 ND1 HIS A 172 31.631 4.218 -8.997 1.00 8.91 N flip ATOM 2685 CD2 HIS A 172 32.698 2.490 -9.793 1.00 8.94 C flip ATOM 2686 CE1 HIS A 172 32.408 3.651 -8.021 1.00 9.32 C flip ATOM 2687 NE2 HIS A 172 33.039 2.611 -8.525 1.00 9.35 N flip ATOM 0 H HIS A 172 31.340 6.363 -12.047 1.00 7.18 H new ATOM 0 HA HIS A 172 33.078 4.001 -12.466 1.00 7.91 H new ATOM 0 HB2 HIS A 172 30.241 4.129 -11.402 1.00 8.43 H new ATOM 0 HB3 HIS A 172 31.034 2.652 -11.912 1.00 8.43 H new ATOM 0 HD2 HIS A 172 33.060 1.728 -10.467 1.00 8.94 H new ATOM 0 HE1 HIS A 172 32.490 4.001 -7.002 1.00 9.32 H new ATOM 0 HE2 HIS A 172 33.683 2.002 -8.020 1.00 9.35 H new ATOM 2696 N HIS A 173 32.324 3.983 -14.816 1.00 8.71 N ATOM 2697 CA HIS A 173 31.924 3.937 -16.214 1.00 9.35 C ATOM 2698 C HIS A 173 31.331 2.579 -16.560 1.00 9.73 C ATOM 2699 O HIS A 173 32.019 1.559 -16.481 1.00 10.12 O ATOM 2700 CB HIS A 173 33.122 4.210 -17.132 1.00 9.85 C ATOM 2701 CG HIS A 173 33.755 5.556 -16.945 1.00 10.34 C ATOM 2702 ND1 HIS A 173 33.600 6.592 -17.841 1.00 10.84 N ATOM 2703 CD2 HIS A 173 34.573 6.026 -15.973 1.00 10.66 C ATOM 2704 CE1 HIS A 173 34.294 7.634 -17.430 1.00 11.40 C ATOM 2705 NE2 HIS A 173 34.891 7.320 -16.302 1.00 11.31 N ATOM 0 H HIS A 173 33.284 3.684 -14.645 1.00 8.71 H new ATOM 0 HA HIS A 173 31.170 4.709 -16.367 1.00 9.35 H new ATOM 0 HB2 HIS A 173 33.876 3.441 -16.962 1.00 9.85 H new ATOM 0 HB3 HIS A 173 32.798 4.116 -18.169 1.00 9.85 H new ATOM 0 HD2 HIS A 173 34.912 5.484 -15.102 1.00 10.66 H new ATOM 0 HE1 HIS A 173 34.361 8.586 -17.935 1.00 11.40 H new ATOM 0 HE2 HIS A 173 35.493 7.938 -15.759 1.00 11.31 H new ATOM 2714 N HIS A 174 30.056 2.558 -16.931 1.00 9.86 N ATOM 2715 CA HIS A 174 29.436 1.326 -17.400 1.00 10.40 C ATOM 2716 C HIS A 174 30.040 0.946 -18.747 1.00 11.06 C ATOM 2717 O HIS A 174 30.314 -0.225 -19.008 1.00 11.27 O ATOM 2718 CB HIS A 174 27.913 1.471 -17.500 1.00 10.58 C ATOM 2719 CG HIS A 174 27.213 0.216 -17.931 1.00 10.83 C ATOM 2720 ND1 HIS A 174 26.964 -0.837 -17.079 1.00 11.12 N ATOM 2721 CD2 HIS A 174 26.707 -0.150 -19.132 1.00 11.10 C ATOM 2722 CE1 HIS A 174 26.340 -1.795 -17.737 1.00 11.52 C ATOM 2723 NE2 HIS A 174 26.170 -1.404 -18.986 1.00 11.52 N ATOM 0 H HIS A 174 29.438 3.370 -16.917 1.00 9.86 H new ATOM 0 HA HIS A 174 29.633 0.532 -16.680 1.00 10.40 H new ATOM 0 HB2 HIS A 174 27.522 1.779 -16.530 1.00 10.58 H new ATOM 0 HB3 HIS A 174 27.679 2.268 -18.206 1.00 10.58 H new ATOM 0 HD2 HIS A 174 26.723 0.437 -20.038 1.00 11.10 H new ATOM 0 HE1 HIS A 174 26.022 -2.740 -17.323 1.00 11.52 H new ATOM 0 HE2 HIS A 174 25.715 -1.945 -19.721 1.00 11.52 H new ATOM 2732 N HIS A 175 30.250 1.943 -19.598 1.00 11.59 N ATOM 2733 CA HIS A 175 31.015 1.737 -20.817 1.00 12.41 C ATOM 2734 C HIS A 175 32.465 2.145 -20.568 1.00 12.84 C ATOM 2735 O HIS A 175 32.773 3.322 -20.372 1.00 13.21 O ATOM 2736 CB HIS A 175 30.403 2.479 -22.029 1.00 12.99 C ATOM 2737 CG HIS A 175 30.425 3.985 -21.969 1.00 13.51 C ATOM 2738 ND1 HIS A 175 29.508 4.726 -21.261 1.00 13.89 N ATOM 2739 CD2 HIS A 175 31.247 4.886 -22.566 1.00 13.89 C ATOM 2740 CE1 HIS A 175 29.758 6.011 -21.422 1.00 14.46 C ATOM 2741 NE2 HIS A 175 30.807 6.137 -22.208 1.00 14.48 N ATOM 0 H HIS A 175 29.904 2.893 -19.467 1.00 11.59 H new ATOM 0 HA HIS A 175 30.982 0.679 -21.077 1.00 12.41 H new ATOM 0 HB2 HIS A 175 30.934 2.164 -22.927 1.00 12.99 H new ATOM 0 HB3 HIS A 175 29.368 2.156 -22.141 1.00 12.99 H new ATOM 0 HD2 HIS A 175 32.089 4.661 -23.203 1.00 13.89 H new ATOM 0 HE1 HIS A 175 29.197 6.823 -20.983 1.00 14.46 H new ATOM 0 HE2 HIS A 175 31.225 7.020 -22.503 1.00 14.48 H new ATOM 2750 N HIS A 176 33.350 1.159 -20.550 1.00 12.98 N ATOM 2751 CA HIS A 176 34.746 1.392 -20.196 1.00 13.55 C ATOM 2752 C HIS A 176 35.588 1.639 -21.440 1.00 13.90 C ATOM 2753 O HIS A 176 36.814 1.687 -21.379 1.00 14.09 O ATOM 2754 CB HIS A 176 35.318 0.226 -19.368 1.00 13.99 C ATOM 2755 CG HIS A 176 35.280 -1.118 -20.038 1.00 14.45 C ATOM 2756 ND1 HIS A 176 36.363 -1.665 -20.693 1.00 14.88 N ATOM 2757 CD2 HIS A 176 34.294 -2.044 -20.115 1.00 14.71 C ATOM 2758 CE1 HIS A 176 36.044 -2.864 -21.142 1.00 15.37 C ATOM 2759 NE2 HIS A 176 34.796 -3.118 -20.804 1.00 15.28 N ATOM 0 H HIS A 176 33.128 0.189 -20.776 1.00 12.98 H new ATOM 0 HA HIS A 176 34.784 2.288 -19.576 1.00 13.55 H new ATOM 0 HB2 HIS A 176 36.352 0.457 -19.112 1.00 13.99 H new ATOM 0 HB3 HIS A 176 34.765 0.162 -18.431 1.00 13.99 H new ATOM 0 HD2 HIS A 176 33.297 -1.953 -19.709 1.00 14.71 H new ATOM 0 HE1 HIS A 176 36.696 -3.526 -21.693 1.00 15.37 H new ATOM 0 HE2 HIS A 176 34.286 -3.975 -21.020 1.00 15.28 H new ATOM 2768 N HIS A 177 34.914 1.789 -22.567 1.00 14.14 N ATOM 2769 CA HIS A 177 35.564 2.173 -23.809 1.00 14.65 C ATOM 2770 C HIS A 177 34.675 3.115 -24.602 1.00 15.60 C ATOM 2771 O HIS A 177 33.467 2.902 -24.714 1.00 16.02 O ATOM 2772 CB HIS A 177 35.920 0.950 -24.660 1.00 14.60 C ATOM 2773 CG HIS A 177 37.283 0.398 -24.377 1.00 14.47 C ATOM 2774 ND1 HIS A 177 37.516 -0.927 -24.083 1.00 14.51 N ATOM 2775 CD2 HIS A 177 38.493 1.002 -24.364 1.00 14.51 C ATOM 2776 CE1 HIS A 177 38.812 -1.112 -23.900 1.00 14.56 C ATOM 2777 NE2 HIS A 177 39.426 0.044 -24.066 1.00 14.56 N ATOM 0 H HIS A 177 33.907 1.649 -22.648 1.00 14.14 H new ATOM 0 HA HIS A 177 36.491 2.685 -23.551 1.00 14.65 H new ATOM 0 HB2 HIS A 177 35.178 0.170 -24.488 1.00 14.60 H new ATOM 0 HB3 HIS A 177 35.859 1.221 -25.714 1.00 14.60 H new ATOM 0 HD2 HIS A 177 38.688 2.047 -24.554 1.00 14.51 H new ATOM 0 HE1 HIS A 177 39.288 -2.050 -23.656 1.00 14.56 H new ATOM 0 HE2 HIS A 177 40.431 0.199 -23.986 1.00 14.56 H new ATOM 2786 N LEU A 178 35.274 4.167 -25.121 1.00 16.06 N ATOM 2787 CA LEU A 178 34.570 5.121 -25.952 1.00 17.08 C ATOM 2788 C LEU A 178 35.481 5.566 -27.084 1.00 17.58 C ATOM 2789 O LEU A 178 35.281 5.200 -28.242 1.00 17.74 O ATOM 2790 CB LEU A 178 34.126 6.330 -25.123 1.00 17.47 C ATOM 2791 CG LEU A 178 33.347 7.398 -25.893 1.00 17.56 C ATOM 2792 CD1 LEU A 178 31.976 6.876 -26.296 1.00 17.99 C ATOM 2793 CD2 LEU A 178 33.222 8.666 -25.063 1.00 17.68 C ATOM 0 H LEU A 178 36.260 4.384 -24.979 1.00 16.06 H new ATOM 0 HA LEU A 178 33.680 4.648 -26.366 1.00 17.08 H new ATOM 0 HB2 LEU A 178 33.508 5.977 -24.298 1.00 17.47 H new ATOM 0 HB3 LEU A 178 35.010 6.793 -24.684 1.00 17.47 H new ATOM 0 HG LEU A 178 33.897 7.639 -26.803 1.00 17.56 H new ATOM 0 HD11 LEU A 178 31.438 7.651 -26.842 1.00 17.99 H new ATOM 0 HD12 LEU A 178 32.093 5.998 -26.932 1.00 17.99 H new ATOM 0 HD13 LEU A 178 31.413 6.605 -25.403 1.00 17.99 H new ATOM 0 HD21 LEU A 178 32.665 9.416 -25.625 1.00 17.68 H new ATOM 0 HD22 LEU A 178 32.695 8.443 -24.135 1.00 17.68 H new ATOM 0 HD23 LEU A 178 34.216 9.050 -24.833 1.00 17.68 H new ATOM 2805 N GLU A 179 36.499 6.330 -26.731 1.00 17.95 N ATOM 2806 CA GLU A 179 37.479 6.803 -27.690 1.00 18.57 C ATOM 2807 C GLU A 179 38.876 6.689 -27.096 1.00 19.13 C ATOM 2808 O GLU A 179 39.035 6.617 -25.878 1.00 19.11 O ATOM 2809 CB GLU A 179 37.174 8.248 -28.089 1.00 18.91 C ATOM 2810 CG GLU A 179 37.008 9.185 -26.904 1.00 18.77 C ATOM 2811 CD GLU A 179 36.621 10.587 -27.322 1.00 18.94 C ATOM 2812 OE1 GLU A 179 35.425 10.824 -27.593 1.00 18.93 O ATOM 2813 OE2 GLU A 179 37.508 11.460 -27.378 1.00 19.19 O ATOM 0 H GLU A 179 36.669 6.639 -25.774 1.00 17.95 H new ATOM 0 HA GLU A 179 37.431 6.186 -28.587 1.00 18.57 H new ATOM 0 HB2 GLU A 179 37.979 8.618 -28.724 1.00 18.91 H new ATOM 0 HB3 GLU A 179 36.262 8.266 -28.686 1.00 18.91 H new ATOM 0 HG2 GLU A 179 36.247 8.786 -26.234 1.00 18.77 H new ATOM 0 HG3 GLU A 179 37.941 9.222 -26.341 1.00 18.77 H new ATOM 2820 N HIS A 180 39.881 6.661 -27.957 1.00 19.74 N ATOM 2821 CA HIS A 180 41.257 6.514 -27.514 1.00 20.41 C ATOM 2822 C HIS A 180 41.952 7.863 -27.508 1.00 20.84 C ATOM 2823 O HIS A 180 42.245 8.412 -26.444 1.00 21.13 O ATOM 2824 CB HIS A 180 42.020 5.542 -28.417 1.00 21.03 C ATOM 2825 CG HIS A 180 41.490 4.145 -28.382 1.00 21.37 C ATOM 2826 ND1 HIS A 180 40.837 3.562 -29.444 1.00 21.96 N ATOM 2827 CD2 HIS A 180 41.532 3.209 -27.409 1.00 21.34 C ATOM 2828 CE1 HIS A 180 40.500 2.328 -29.122 1.00 22.26 C ATOM 2829 NE2 HIS A 180 40.912 2.088 -27.892 1.00 21.90 N ATOM 0 H HIS A 180 39.769 6.738 -28.968 1.00 19.74 H new ATOM 0 HA HIS A 180 41.246 6.111 -26.501 1.00 20.41 H new ATOM 0 HB2 HIS A 180 41.984 5.909 -29.443 1.00 21.03 H new ATOM 0 HB3 HIS A 180 43.068 5.531 -28.119 1.00 21.03 H new ATOM 0 HD2 HIS A 180 41.973 3.324 -26.430 1.00 21.34 H new ATOM 0 HE1 HIS A 180 39.975 1.631 -29.758 1.00 22.26 H new ATOM 0 HE2 HIS A 180 40.789 1.212 -27.385 1.00 21.90 H new ATOM 2838 N HIS A 181 42.200 8.391 -28.705 1.00 20.99 N ATOM 2839 CA HIS A 181 42.862 9.683 -28.885 1.00 21.54 C ATOM 2840 C HIS A 181 44.313 9.645 -28.418 1.00 22.31 C ATOM 2841 O HIS A 181 44.708 8.779 -27.632 1.00 22.51 O ATOM 2842 CB HIS A 181 42.098 10.805 -28.171 1.00 21.37 C ATOM 2843 CG HIS A 181 40.868 11.249 -28.901 1.00 21.01 C ATOM 2844 ND1 HIS A 181 40.495 12.570 -29.006 1.00 20.83 N ATOM 2845 CD2 HIS A 181 39.927 10.541 -29.569 1.00 20.92 C ATOM 2846 CE1 HIS A 181 39.378 12.656 -29.704 1.00 20.64 C ATOM 2847 NE2 HIS A 181 39.015 11.440 -30.057 1.00 20.70 N ATOM 0 H HIS A 181 41.947 7.934 -29.581 1.00 20.99 H new ATOM 0 HA HIS A 181 42.861 9.894 -29.954 1.00 21.54 H new ATOM 0 HB2 HIS A 181 41.816 10.465 -27.174 1.00 21.37 H new ATOM 0 HB3 HIS A 181 42.762 11.660 -28.040 1.00 21.37 H new ATOM 0 HD2 HIS A 181 39.900 9.469 -29.694 1.00 20.92 H new ATOM 0 HE1 HIS A 181 38.852 13.568 -29.945 1.00 20.64 H new ATOM 0 HE2 HIS A 181 38.188 11.205 -30.606 1.00 20.70 H new ATOM 2856 N HIS A 182 45.095 10.602 -28.909 1.00 22.83 N ATOM 2857 CA HIS A 182 46.528 10.684 -28.626 1.00 23.69 C ATOM 2858 C HIS A 182 47.254 9.416 -29.071 1.00 24.16 C ATOM 2859 O HIS A 182 47.595 9.273 -30.247 1.00 24.40 O ATOM 2860 CB HIS A 182 46.792 10.978 -27.143 1.00 24.01 C ATOM 2861 CG HIS A 182 46.417 12.369 -26.728 1.00 24.24 C ATOM 2862 ND1 HIS A 182 47.329 13.281 -26.237 1.00 24.67 N ATOM 2863 CD2 HIS A 182 45.220 13.004 -26.728 1.00 24.22 C ATOM 2864 CE1 HIS A 182 46.711 14.412 -25.958 1.00 24.89 C ATOM 2865 NE2 HIS A 182 45.433 14.270 -26.247 1.00 24.63 N ATOM 0 H HIS A 182 44.753 11.346 -29.517 1.00 22.83 H new ATOM 0 HA HIS A 182 46.927 11.518 -29.204 1.00 23.69 H new ATOM 0 HB2 HIS A 182 46.235 10.265 -26.536 1.00 24.01 H new ATOM 0 HB3 HIS A 182 47.850 10.818 -26.933 1.00 24.01 H new ATOM 0 HD2 HIS A 182 44.275 12.590 -27.047 1.00 24.22 H new ATOM 0 HE1 HIS A 182 47.174 15.303 -25.560 1.00 24.89 H new ATOM 0 HE2 HIS A 182 44.717 14.987 -26.131 1.00 24.63 H new ATOM 2874 N HIS A 183 47.474 8.492 -28.143 1.00 24.38 N ATOM 2875 CA HIS A 183 48.158 7.239 -28.448 1.00 24.93 C ATOM 2876 C HIS A 183 47.688 6.133 -27.520 1.00 25.44 C ATOM 2877 O HIS A 183 47.424 6.369 -26.341 1.00 25.58 O ATOM 2878 CB HIS A 183 49.678 7.389 -28.320 1.00 25.08 C ATOM 2879 CG HIS A 183 50.333 8.042 -29.497 1.00 25.22 C ATOM 2880 ND1 HIS A 183 50.667 9.378 -29.530 1.00 25.36 N ATOM 2881 CD2 HIS A 183 50.722 7.533 -30.689 1.00 25.35 C ATOM 2882 CE1 HIS A 183 51.230 9.663 -30.686 1.00 25.56 C ATOM 2883 NE2 HIS A 183 51.275 8.561 -31.407 1.00 25.56 N ATOM 0 H HIS A 183 47.188 8.587 -27.169 1.00 24.38 H new ATOM 0 HA HIS A 183 47.915 6.979 -29.478 1.00 24.93 H new ATOM 0 HB2 HIS A 183 49.900 7.971 -27.426 1.00 25.08 H new ATOM 0 HB3 HIS A 183 50.118 6.402 -28.175 1.00 25.08 H new ATOM 0 HD2 HIS A 183 50.616 6.508 -31.014 1.00 25.35 H new ATOM 0 HE1 HIS A 183 51.593 10.634 -30.991 1.00 25.56 H new ATOM 0 HE2 HIS A 183 51.660 8.485 -32.349 1.00 25.56 H new ATOM 2892 N HIS A 184 47.569 4.931 -28.053 1.00 25.80 N ATOM 2893 CA HIS A 184 47.231 3.778 -27.238 1.00 26.40 C ATOM 2894 C HIS A 184 48.508 3.044 -26.856 1.00 26.96 C ATOM 2895 O HIS A 184 49.318 2.702 -27.719 1.00 27.37 O ATOM 2896 CB HIS A 184 46.284 2.837 -27.986 1.00 26.76 C ATOM 2897 CG HIS A 184 45.782 1.701 -27.143 1.00 26.84 C ATOM 2898 ND1 HIS A 184 46.393 0.468 -27.099 1.00 26.92 N ATOM 2899 CD2 HIS A 184 44.725 1.623 -26.302 1.00 26.96 C ATOM 2900 CE1 HIS A 184 45.735 -0.317 -26.269 1.00 27.09 C ATOM 2901 NE2 HIS A 184 44.719 0.359 -25.770 1.00 27.11 N ATOM 0 H HIS A 184 47.701 4.728 -29.044 1.00 25.80 H new ATOM 0 HA HIS A 184 46.720 4.120 -26.338 1.00 26.40 H new ATOM 0 HB2 HIS A 184 45.433 3.409 -28.356 1.00 26.76 H new ATOM 0 HB3 HIS A 184 46.799 2.433 -28.857 1.00 26.76 H new ATOM 0 HD2 HIS A 184 44.017 2.410 -26.089 1.00 26.96 H new ATOM 0 HE1 HIS A 184 45.986 -1.341 -26.037 1.00 27.09 H new ATOM 0 HE2 HIS A 184 44.040 0.001 -25.098 1.00 27.11 H new ATOM 2910 N HIS A 185 48.692 2.817 -25.569 1.00 27.04 N ATOM 2911 CA HIS A 185 49.892 2.168 -25.077 1.00 27.63 C ATOM 2912 C HIS A 185 49.604 1.485 -23.747 1.00 27.78 C ATOM 2913 O HIS A 185 49.205 0.305 -23.763 1.00 27.59 O ATOM 2914 CB HIS A 185 51.022 3.193 -24.929 1.00 28.05 C ATOM 2915 CG HIS A 185 52.348 2.595 -24.565 1.00 28.32 C ATOM 2916 ND1 HIS A 185 53.244 2.127 -25.499 1.00 28.85 N ATOM 2917 CD2 HIS A 185 52.932 2.408 -23.361 1.00 28.21 C ATOM 2918 CE1 HIS A 185 54.322 1.680 -24.885 1.00 29.06 C ATOM 2919 NE2 HIS A 185 54.160 1.839 -23.586 1.00 28.68 N ATOM 2920 OXT HIS A 185 49.762 2.131 -22.691 1.00 28.16 O ATOM 0 H HIS A 185 48.023 3.074 -24.843 1.00 27.04 H new ATOM 0 HA HIS A 185 50.209 1.410 -25.793 1.00 27.63 H new ATOM 0 HB2 HIS A 185 51.127 3.740 -25.866 1.00 28.05 H new ATOM 0 HB3 HIS A 185 50.741 3.919 -24.166 1.00 28.05 H new ATOM 0 HD2 HIS A 185 52.510 2.660 -22.399 1.00 28.21 H new ATOM 0 HE1 HIS A 185 55.191 1.255 -25.365 1.00 29.06 H new ATOM 0 HE2 HIS A 185 54.836 1.581 -22.867 1.00 28.68 H new TER 2929 HIS A 185 HETATM 2930 C ACE B1001 -15.698 -18.219 3.864 1.00 3.23 C HETATM 2931 O ACE B1001 -15.991 -17.248 3.163 1.00 3.56 O HETATM 2932 CH3 ACE B1001 -15.710 -18.079 5.373 1.00 4.05 C HETATM 0 H1 ACE B1001 -16.425 -18.783 5.798 1.00 4.05 H new HETATM 0 H2 ACE B1001 -14.715 -18.290 5.766 1.00 4.05 H new HETATM 0 H3 ACE B1001 -15.998 -17.063 5.642 1.00 4.05 H new ATOM 2936 N GLY B1002 -15.371 -19.394 3.335 1.00 2.68 N ATOM 2937 CA GLY B1002 -15.349 -19.586 1.897 1.00 2.37 C ATOM 2938 C GLY B1002 -14.101 -19.015 1.254 1.00 2.24 C ATOM 2939 O GLY B1002 -13.122 -19.727 1.033 1.00 2.97 O ATOM 0 H GLY B1002 -15.120 -20.219 3.879 1.00 2.68 H new ATOM 0 HA2 GLY B1002 -15.413 -20.651 1.675 1.00 2.37 H new ATOM 0 HA3 GLY B1002 -16.228 -19.115 1.457 1.00 2.37 H new ATOM 2943 N CYS B1003 -14.129 -17.726 0.962 1.00 1.72 N ATOM 2944 CA CYS B1003 -13.007 -17.066 0.319 1.00 1.60 C ATOM 2945 C CYS B1003 -12.521 -15.910 1.180 1.00 1.42 C ATOM 2946 O CYS B1003 -12.650 -15.947 2.399 1.00 1.55 O ATOM 2947 CB CYS B1003 -13.413 -16.529 -1.053 1.00 1.63 C ATOM 2948 SG CYS B1003 -14.259 -17.734 -2.122 1.00 1.94 S ATOM 0 H CYS B1003 -14.920 -17.114 1.161 1.00 1.72 H new ATOM 0 HA CYS B1003 -12.207 -17.796 0.195 1.00 1.60 H new ATOM 0 HB2 CYS B1003 -14.066 -15.668 -0.912 1.00 1.63 H new ATOM 0 HB3 CYS B1003 -12.521 -16.172 -1.567 1.00 1.63 H new ATOM 2953 N VAL B1004 -11.922 -14.919 0.514 1.00 1.37 N ATOM 2954 CA VAL B1004 -11.523 -13.640 1.100 1.00 1.19 C ATOM 2955 C VAL B1004 -10.698 -13.801 2.390 1.00 1.19 C ATOM 2956 O VAL B1004 -9.472 -13.814 2.302 1.00 1.63 O ATOM 2957 CB VAL B1004 -12.727 -12.678 1.232 1.00 1.15 C ATOM 2958 CG1 VAL B1004 -13.415 -12.547 -0.115 1.00 1.41 C ATOM 2959 CG2 VAL B1004 -13.734 -13.096 2.281 1.00 1.42 C ATOM 0 H VAL B1004 -11.695 -14.988 -0.478 1.00 1.37 H new ATOM 0 HA VAL B1004 -10.835 -13.163 0.402 1.00 1.19 H new ATOM 0 HB VAL B1004 -12.325 -11.720 1.562 1.00 1.15 H new ATOM 0 HG11 VAL B1004 -14.264 -11.870 -0.025 1.00 1.41 H new ATOM 0 HG12 VAL B1004 -12.710 -12.151 -0.846 1.00 1.41 H new ATOM 0 HG13 VAL B1004 -13.765 -13.526 -0.442 1.00 1.41 H new ATOM 0 HG21 VAL B1004 -14.548 -12.372 2.313 1.00 1.42 H new ATOM 0 HG22 VAL B1004 -14.133 -14.079 2.031 1.00 1.42 H new ATOM 0 HG23 VAL B1004 -13.248 -13.139 3.256 1.00 1.42 H new ATOM 2969 N GLY B1005 -11.338 -13.885 3.568 1.00 1.02 N ATOM 2970 CA GLY B1005 -10.673 -14.432 4.753 1.00 1.07 C ATOM 2971 C GLY B1005 -9.704 -15.569 4.422 1.00 1.05 C ATOM 2972 O GLY B1005 -8.651 -15.699 5.044 1.00 1.20 O ATOM 0 H GLY B1005 -12.301 -13.585 3.721 1.00 1.02 H new ATOM 0 HA2 GLY B1005 -10.129 -13.634 5.259 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -11.427 -14.796 5.451 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.073 -16.395 3.444 1.00 1.08 N ATOM 2977 CA ARG B1006 -9.193 -17.450 2.943 1.00 1.08 C ATOM 2978 C ARG B1006 -8.310 -16.941 1.799 1.00 1.04 C ATOM 2979 O ARG B1006 -7.092 -17.086 1.832 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.008 -18.643 2.425 1.00 1.14 C ATOM 2981 CG ARG B1006 -10.565 -19.570 3.497 1.00 1.24 C ATOM 2982 CD ARG B1006 -11.523 -18.858 4.432 1.00 1.55 C ATOM 2983 NE ARG B1006 -12.383 -19.800 5.147 1.00 1.88 N ATOM 2984 CZ ARG B1006 -12.755 -19.672 6.421 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -12.272 -18.689 7.173 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -13.606 -20.542 6.945 1.00 2.87 N ATOM 0 H ARG B1006 -10.981 -16.353 2.981 1.00 1.08 H new ATOM 0 HA ARG B1006 -8.566 -17.761 3.778 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -10.839 -18.263 1.831 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -9.378 -19.228 1.755 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -11.079 -20.405 3.021 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -9.742 -19.990 4.075 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -10.957 -18.265 5.150 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -12.140 -18.164 3.861 1.00 1.55 H new ATOM 0 HE ARG B1006 -12.723 -20.614 4.634 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -11.609 -18.022 6.777 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -12.564 -18.601 8.146 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -13.972 -21.304 6.374 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -13.895 -20.450 7.919 1.00 2.87 H new ATOM 3000 N ALA B1007 -8.947 -16.326 0.802 1.00 1.02 N ATOM 3001 CA ALA B1007 -8.302 -16.030 -0.480 1.00 1.05 C ATOM 3002 C ALA B1007 -7.222 -14.959 -0.377 1.00 1.02 C ATOM 3003 O ALA B1007 -6.056 -15.229 -0.653 1.00 1.31 O ATOM 3004 CB ALA B1007 -9.344 -15.615 -1.506 1.00 1.10 C ATOM 0 H ALA B1007 -9.918 -16.020 0.858 1.00 1.02 H new ATOM 0 HA ALA B1007 -7.807 -16.948 -0.797 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -8.854 -15.397 -2.455 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -10.060 -16.425 -1.645 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.866 -14.725 -1.155 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.616 -13.750 0.004 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.689 -12.619 0.064 1.00 0.83 C ATOM 3012 C LEU B1008 -5.543 -12.932 1.008 1.00 0.78 C ATOM 3013 O LEU B1008 -4.377 -12.805 0.644 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.412 -11.351 0.522 1.00 0.90 C ATOM 3015 CG LEU B1008 -8.387 -10.723 -0.474 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -7.745 -10.597 -1.840 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -9.673 -11.512 -0.572 1.00 1.33 C ATOM 0 H LEU B1008 -8.572 -13.524 0.277 1.00 0.84 H new ATOM 0 HA LEU B1008 -6.291 -12.448 -0.936 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -7.960 -11.582 1.436 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -6.661 -10.605 0.781 1.00 0.90 H new ATOM 0 HG LEU B1008 -8.634 -9.728 -0.105 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -8.454 -10.148 -2.535 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -6.858 -9.967 -1.769 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -7.460 -11.585 -2.200 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -10.340 -11.034 -1.290 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -9.453 -12.527 -0.902 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -10.155 -11.545 0.405 1.00 1.33 H new ATOM 3029 N ALA B1009 -5.905 -13.322 2.222 1.00 0.78 N ATOM 3030 CA ALA B1009 -4.977 -13.843 3.209 1.00 0.78 C ATOM 3031 C ALA B1009 -3.903 -14.730 2.574 1.00 0.80 C ATOM 3032 O ALA B1009 -2.704 -14.560 2.803 1.00 0.76 O ATOM 3033 CB ALA B1009 -5.741 -14.648 4.247 1.00 0.88 C ATOM 0 H ALA B1009 -6.869 -13.284 2.552 1.00 0.78 H new ATOM 0 HA ALA B1009 -4.478 -12.993 3.675 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -5.045 -15.040 4.989 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -6.472 -14.007 4.739 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -6.255 -15.476 3.759 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.362 -15.681 1.769 1.00 0.89 N ATOM 3040 CA ALA B1010 -3.495 -16.654 1.124 1.00 0.94 C ATOM 3041 C ALA B1010 -2.636 -16.012 0.037 1.00 0.92 C ATOM 3042 O ALA B1010 -1.426 -16.230 -0.021 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.341 -17.766 0.535 1.00 1.03 C ATOM 0 H ALA B1010 -5.350 -15.798 1.546 1.00 0.89 H new ATOM 0 HA ALA B1010 -2.818 -17.061 1.875 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -3.694 -18.498 0.050 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -4.907 -18.252 1.329 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -5.030 -17.349 -0.199 1.00 1.03 H new ATOM 3049 N PHE B1011 -3.264 -15.224 -0.822 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.561 -14.567 -1.917 1.00 0.93 C ATOM 3051 C PHE B1011 -1.571 -13.529 -1.395 1.00 0.85 C ATOM 3052 O PHE B1011 -0.555 -13.245 -2.031 1.00 0.89 O ATOM 3053 CB PHE B1011 -3.559 -13.913 -2.877 1.00 0.97 C ATOM 3054 CG PHE B1011 -4.137 -14.865 -3.887 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -3.497 -15.062 -5.097 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -5.317 -15.557 -3.638 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -4.013 -15.927 -6.037 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -5.838 -16.419 -4.575 1.00 1.32 C ATOM 3059 CZ PHE B1011 -5.187 -16.606 -5.777 1.00 1.46 C ATOM 0 H PHE B1011 -4.263 -15.022 -0.783 1.00 0.93 H new ATOM 0 HA PHE B1011 -1.998 -15.328 -2.458 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -4.371 -13.473 -2.299 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -3.063 -13.097 -3.402 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -2.581 -14.531 -5.308 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -5.830 -15.416 -2.698 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -3.500 -16.074 -6.976 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -6.756 -16.949 -4.370 1.00 1.32 H new ATOM 0 HZ PHE B1011 -5.595 -17.282 -6.513 1.00 1.46 H new ATOM 3069 N GLY B1012 -1.867 -12.983 -0.225 1.00 0.78 N ATOM 3070 CA GLY B1012 -1.004 -11.992 0.381 1.00 0.72 C ATOM 3071 C GLY B1012 0.267 -12.585 0.946 1.00 0.73 C ATOM 3072 O GLY B1012 1.198 -11.860 1.305 1.00 0.78 O ATOM 0 H GLY B1012 -2.698 -13.212 0.320 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -0.748 -11.237 -0.363 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -1.547 -11.483 1.177 1.00 0.72 H new ATOM 3076 N ASP B1013 0.315 -13.904 1.021 1.00 0.78 N ATOM 3077 CA ASP B1013 1.486 -14.598 1.540 1.00 0.86 C ATOM 3078 C ASP B1013 2.608 -14.615 0.500 1.00 0.93 C ATOM 3079 O ASP B1013 3.730 -15.042 0.779 1.00 1.06 O ATOM 3080 CB ASP B1013 1.106 -16.024 1.944 1.00 0.98 C ATOM 3081 CG ASP B1013 2.221 -16.753 2.666 1.00 1.18 C ATOM 3082 OD1 ASP B1013 2.589 -16.331 3.779 1.00 1.90 O ATOM 3083 OD2 ASP B1013 2.757 -17.735 2.106 1.00 1.48 O ATOM 0 H ASP B1013 -0.444 -14.519 0.729 1.00 0.78 H new ATOM 0 HA ASP B1013 1.849 -14.066 2.419 1.00 0.86 H new ATOM 0 HB2 ASP B1013 0.226 -15.991 2.586 1.00 0.98 H new ATOM 0 HB3 ASP B1013 0.829 -16.587 1.052 1.00 0.98 H new ATOM 3088 N CYS B1014 2.306 -14.118 -0.692 1.00 0.93 N ATOM 3089 CA CYS B1014 3.268 -14.119 -1.787 1.00 1.06 C ATOM 3090 C CYS B1014 3.984 -12.775 -1.889 1.00 1.08 C ATOM 3091 O CYS B1014 4.721 -12.523 -2.840 1.00 1.44 O ATOM 3092 CB CYS B1014 2.564 -14.423 -3.107 1.00 1.12 C ATOM 3093 SG CYS B1014 1.378 -15.802 -3.019 1.00 1.34 S ATOM 0 H CYS B1014 1.402 -13.708 -0.926 1.00 0.93 H new ATOM 0 HA CYS B1014 4.008 -14.893 -1.582 1.00 1.06 H new ATOM 0 HB2 CYS B1014 2.039 -13.528 -3.441 1.00 1.12 H new ATOM 0 HB3 CYS B1014 3.316 -14.652 -3.862 1.00 1.12 H new ATOM 3098 N ILE B1015 3.767 -11.907 -0.911 1.00 1.14 N ATOM 3099 CA ILE B1015 4.423 -10.608 -0.904 1.00 1.23 C ATOM 3100 C ILE B1015 5.709 -10.682 -0.087 1.00 1.67 C ATOM 3101 O ILE B1015 5.810 -10.123 1.007 1.00 2.20 O ATOM 3102 CB ILE B1015 3.502 -9.497 -0.352 1.00 1.32 C ATOM 3103 CG1 ILE B1015 2.127 -9.579 -1.019 1.00 2.19 C ATOM 3104 CG2 ILE B1015 4.125 -8.124 -0.596 1.00 1.41 C ATOM 3105 CD1 ILE B1015 1.129 -8.574 -0.488 1.00 2.91 C ATOM 0 H ILE B1015 3.147 -12.077 -0.119 1.00 1.14 H new ATOM 0 HA ILE B1015 4.660 -10.350 -1.936 1.00 1.23 H new ATOM 0 HB ILE B1015 3.383 -9.639 0.722 1.00 1.32 H new ATOM 0 HG12 ILE B1015 2.245 -9.428 -2.092 1.00 2.19 H new ATOM 0 HG13 ILE B1015 1.726 -10.583 -0.881 1.00 2.19 H new ATOM 0 HG21 ILE B1015 3.466 -7.350 -0.202 1.00 1.41 H new ATOM 0 HG22 ILE B1015 5.091 -8.068 -0.094 1.00 1.41 H new ATOM 0 HG23 ILE B1015 4.264 -7.972 -1.666 1.00 1.41 H new ATOM 0 HD11 ILE B1015 0.179 -8.694 -1.009 1.00 2.91 H new ATOM 0 HD12 ILE B1015 0.980 -8.738 0.579 1.00 2.91 H new ATOM 0 HD13 ILE B1015 1.507 -7.565 -0.651 1.00 2.91 H new ATOM 3117 N ASN B1016 6.669 -11.431 -0.608 1.00 2.03 N ATOM 3118 CA ASN B1016 7.968 -11.576 0.030 1.00 2.59 C ATOM 3119 C ASN B1016 9.073 -11.305 -0.980 1.00 2.83 C ATOM 3120 O ASN B1016 10.059 -10.630 -0.677 1.00 3.29 O ATOM 3121 CB ASN B1016 8.118 -12.982 0.618 1.00 3.32 C ATOM 3122 CG ASN B1016 9.484 -13.224 1.236 1.00 3.73 C ATOM 3123 OD1 ASN B1016 10.414 -13.673 0.563 1.00 4.03 O ATOM 3124 ND2 ASN B1016 9.615 -12.934 2.520 1.00 4.29 N ATOM 0 H ASN B1016 6.571 -11.952 -1.479 1.00 2.03 H new ATOM 0 HA ASN B1016 8.046 -10.853 0.842 1.00 2.59 H new ATOM 0 HB2 ASN B1016 7.350 -13.137 1.376 1.00 3.32 H new ATOM 0 HB3 ASN B1016 7.945 -13.718 -0.167 1.00 3.32 H new ATOM 0 HD21 ASN B1016 10.510 -13.080 2.987 1.00 4.29 H new ATOM 0 HD22 ASN B1016 8.821 -12.564 3.043 1.00 4.29 H new ATOM 3131 N ARG B1017 8.902 -11.842 -2.181 1.00 3.18 N ATOM 3132 CA ARG B1017 9.835 -11.614 -3.273 1.00 3.90 C ATOM 3133 C ARG B1017 9.126 -10.934 -4.438 1.00 4.54 C ATOM 3134 O ARG B1017 8.548 -11.597 -5.300 1.00 5.06 O ATOM 3135 CB ARG B1017 10.455 -12.935 -3.735 1.00 4.55 C ATOM 3136 CG ARG B1017 11.303 -13.617 -2.676 1.00 5.10 C ATOM 3137 CD ARG B1017 12.463 -12.736 -2.245 1.00 5.97 C ATOM 3138 NE ARG B1017 13.295 -13.383 -1.235 1.00 6.51 N ATOM 3139 CZ ARG B1017 14.546 -13.020 -0.959 1.00 7.49 C ATOM 3140 NH1 ARG B1017 15.100 -11.991 -1.590 1.00 8.03 N ATOM 3141 NH2 ARG B1017 15.238 -13.677 -0.041 1.00 8.17 N ATOM 0 H ARG B1017 8.116 -12.445 -2.423 1.00 3.18 H new ATOM 0 HA ARG B1017 10.632 -10.963 -2.915 1.00 3.90 H new ATOM 0 HB2 ARG B1017 9.658 -13.613 -4.041 1.00 4.55 H new ATOM 0 HB3 ARG B1017 11.070 -12.749 -4.615 1.00 4.55 H new ATOM 0 HG2 ARG B1017 10.685 -13.857 -1.811 1.00 5.10 H new ATOM 0 HG3 ARG B1017 11.685 -14.560 -3.066 1.00 5.10 H new ATOM 0 HD2 ARG B1017 13.073 -12.489 -3.114 1.00 5.97 H new ATOM 0 HD3 ARG B1017 12.077 -11.796 -1.849 1.00 5.97 H new ATOM 0 HE ARG B1017 12.894 -14.160 -0.709 1.00 6.51 H new ATOM 0 HH11 ARG B1017 14.567 -11.475 -2.290 1.00 8.03 H new ATOM 0 HH12 ARG B1017 16.059 -11.717 -1.375 1.00 8.03 H new ATOM 0 HH21 ARG B1017 14.813 -14.461 0.454 1.00 8.17 H new ATOM 0 HH22 ARG B1017 16.196 -13.399 0.171 1.00 8.17 H new HETATM 3155 N NH2 B1018 9.158 -9.612 -4.460 1.00 4.96 N TER 3158 NH2 B1018 HETATM 3159 C1 33B B1100 -13.054 -19.089 -2.119 1.00 1.93 C HETATM 3160 C2 33B B1100 -11.608 -18.582 -2.221 1.00 1.78 C HETATM 3161 O2 33B B1100 -11.343 -17.488 -2.716 1.00 2.16 O HETATM 3162 N3 33B B1100 -10.704 -19.409 -1.702 1.00 1.51 N HETATM 3163 C4 33B B1100 -9.395 -19.232 -1.933 1.00 1.44 C HETATM 3164 C5 33B B1100 -8.495 -19.446 -0.885 1.00 1.42 C HETATM 3165 C6 33B B1100 -8.899 -18.893 -3.208 1.00 1.47 C HETATM 3166 S6 33B B1100 -9.949 -18.657 -4.596 1.00 1.71 S HETATM 3167 C7 33B B1100 -7.125 -19.345 -1.102 1.00 1.43 C HETATM 3168 C8 33B B1100 -7.529 -18.785 -3.401 1.00 1.42 C HETATM 3169 C9 33B B1100 -6.648 -19.021 -2.362 1.00 1.39 C HETATM 3170 N10 33B B1100 -5.346 -18.964 -2.605 1.00 1.40 N HETATM 3171 N11 33B B1100 -4.510 -19.187 -1.733 1.00 1.51 N HETATM 3172 C12 33B B1100 -3.230 -19.093 -2.068 1.00 1.54 C HETATM 3173 C13 33B B1100 -2.217 -19.299 -1.135 1.00 1.75 C HETATM 3174 C14 33B B1100 -2.918 -18.749 -3.362 1.00 1.42 C HETATM 3175 C15 33B B1100 -0.887 -19.144 -1.515 1.00 1.78 C HETATM 3176 C16 33B B1100 -1.598 -18.597 -3.747 1.00 1.45 C HETATM 3177 C17 33B B1100 -0.580 -18.786 -2.827 1.00 1.60 C HETATM 3178 S17 33B B1100 -1.215 -18.193 -5.400 1.00 1.38 S HETATM 3179 N18 33B B1100 0.676 -18.568 -3.200 1.00 1.62 N HETATM 3180 C19 33B B1100 1.601 -18.419 -2.256 1.00 1.65 C HETATM 3181 O19 33B B1100 1.806 -19.223 -1.347 1.00 1.92 O HETATM 3182 C20 33B B1100 2.419 -17.136 -2.383 1.00 1.43 C HETATM 3183 O61 33B B1100 -9.272 -19.186 -5.831 1.00 2.30 O HETATM 3184 O62 33B B1100 -11.243 -19.400 -4.421 1.00 2.13 O HETATM 3185 O63 33B B1100 -10.235 -17.194 -4.782 1.00 2.30 O HETATM 3186 O71 33B B1100 -2.464 -18.240 -6.230 1.00 2.03 O HETATM 3187 O72 33B B1100 -0.628 -16.810 -5.462 1.00 2.14 O HETATM 3188 O73 33B B1100 -0.213 -19.170 -5.950 1.00 1.73 O HETATM 0 HO72 33B B1100 -0.088 -16.648 -4.661 1.00 2.14 H new HETATM 0 HO62 33B B1100 -11.991 -18.817 -4.669 1.00 2.13 H new HETATM 0 HN18 33B B1100 0.925 -18.516 -4.188 1.00 1.62 H new HETATM 0 HN3 33B B1100 -11.011 -20.189 -1.120 1.00 1.51 H new HETATM 0 H8 33B B1100 -7.143 -18.511 -4.383 1.00 1.42 H new HETATM 0 H7 33B B1100 -6.428 -19.520 -0.283 1.00 1.43 H new HETATM 0 H5 33B B1100 -8.869 -19.694 0.108 1.00 1.42 H new HETATM 0 H15 33B B1100 -0.089 -19.302 -0.790 1.00 1.78 H new HETATM 0 H14 33B B1100 -3.715 -18.595 -4.089 1.00 1.42 H new HETATM 0 H13 33B B1100 -2.465 -19.580 -0.111 1.00 1.75 H new